Carbon dioxide (data page)

This page provides supplementary chemical data on carbon dioxide.

Material Safety Data Sheet

The handling of this chemical may incur notable safety precautions. It is highly recommended that you seek the Material Safety Datasheet (MSDS) for this chemical from a reliable source such as SIRI, and follow its directions. MSDS for solid carbon dioxide is available from Pacific Dry Ice, inc.

Structure and properties

Structure and properties
Index of refraction, nD	1.000449 at 589.3 nm and 0 °C [1]
Dielectric constant, εr	1.60 ε0 at 0 °C, 50 atm
Average energy per C=O bond	804.4 kJ/mol at 298 K (25 °C) [2]
Bond length	C=O 116.21 pm (1.1621 Å) [3]
Bond angle	O–C–O: 173.0°(with nuclear effects) [4]
Magnetic susceptibility	−0.49×10^−6 cm^3/mol
Surface tension	4.34 dyn/cm at 20 °C and equilibrium pressure
Viscosity [5] of liquid at equilibrium pressure	0.0925 mPa·s at 5 °C 0.0852 mPa·s at 10 °C 0.0712 mPa·s at 20 °C 0.0625 mPa·s at 25 °C 0.0321 mPa·s at 31.1 °C

Thermodynamic properties

Phase behavior
Triple point	216.58 K (−56.57 °C), 518.5 kPa
Critical point	304.18 K (31.03 °C), 7.38 MPa
Std enthalpy change of fusion, ΔfusHo	9.019 kJ/mol at triple point [6]
Entropy change of fusion, ΔfusS	40 J/(mol·K) at triple point
Std enthalpy change of vaporization, [7] [8] ΔvapHo	15.326 kJ/mol at 215.7 K (−57.5 °C) (348 J/g)
Std entropy change of vaporization, ΔvapSo	70.8 J/(mol·K)
Solid properties
Std enthalpy change of formation, ΔfHosolid	−427.4 kJ/mol
Standard molar entropy, [9] Sosolid	51.07 J/(mol·K)
Heat capacity, [9] cp	2.534 J/(mol·K) at 15.52 K (−257.63 °C) 47.11 J/(mol·K) at 146.48 K (−126.67 °C) 54.55 J/(mol·K) at 189.78 K (−83.37 °C)
Liquid properties
Std enthalpy change of formation, ΔfHoliquid	−393.5kJ/mol
Standard molar entropy, Soliquid	213.7J/(mol K)
Heat capacity, [10] cp	80—150 J/(mol·K) at 220—290 K
Gas properties
Std enthalpy change of formation, ΔfHogas	−393.52 kJ/mol
Standard molar entropy, Sogas	213.79 J/(mol·K)
Heat capacity, [11] [12] cp	33.89 J/(mol K) at –75 °C 36.33 J/(mol K) at 0 °C 36.61 J/(mol K) at 15 °C 38.01 J/(mol K) at 100 °C 43.81 J/(mol K) at 400 °C 50.87 J/(mol K) at 1000 °C 56.91 J/(mol K) at 2000 °C 53.01 J/(mol K) at 38 °C, 2457 kPa 60.01 J/(mol K) at 38 °C, 5482 kPa 183.1 J/(mol K) at 38 °C, 8653 kPa
Heat capacity ratio [11] γ = cp/cv	1.37 at –75 °C 1.310 at 0 °C 1.304 at 15 °C 1.281 at 100 °C 1.235 at 400 °C 1.195 at 1000 °C 1.171 at 2000 °C
van der Waals' constants [13]	a = 363.96 L2 kPa/mol2 b = 0.04267 liter per mole
Equilibrium with carbon monoxide [14] CO + ⁠1/2⁠O2 → CO2 K = ${\displaystyle {\frac {[{\ce {CO2}}]}{[{\ce {CO}}][{\ce {O2}}]^{1/2}}}}$ pK = log10K	pK = 45.0438 at T = 298.16 K pK = 25.0054 at T = 500 K pK = 16.5383 at T = 700 K pK = 11.8409 at T = 900 K pK = 8.8583 at T = 1100 K pK = 6.7989 at T = 1300 K pK = 5.2943 at T = 1500 K

It is used for smoking effects in different scenes.

Solubility in water at various temperatures

Aqueous Solubility of CO2 at 101.3 kPa (1 atm) partial pressure [15]
Temperature ‡Dissolved CO2 volume per volume H2O grams CO2 per 100 ml H2O 0 °C 1.713 0.3346 1 °C 1.646 0.3213 2 °C 1.584 0.3091 3 °C 1.527 0.2978 4 °C 1.473 0.2871 5 °C 1.424 0.2774 6 °C 1.377 0.2681 7 °C 1.331 0.2589 8 °C 1.282 0.2492 9 °C 1.237 0.2403 10 °C 1.194 0.2318 11 °C 1.154 0.2239 12 °C 1.117 0.2165 13 °C 1.083 0.2098 14 °C 1.050 0.2032 15 °C 0.98819 0.1970 16 °C 0.985 0.1903 17 °C 0.956 0.1845		Temperature ‡Dissolved CO2 volume per volume H2O grams CO2 per 100 ml H2O 18 °C 0.928 0.1789 19 °C 0.902 0.1737 20 °C 0.878 0.1688 21 °C 0.854 0.1640 22 °C 0.829 0.1590 23 °C 0.804 0.1540 24 °C 0.781 0.1493 25 °C 0.759 0.1449 26 °C 0.738 0.1406 27 °C 0.718 0.1366 28 °C 0.699 0.1327 29 °C 0.682 0.1292 30 °C 0.655 0.1257 35 °C 0.592 0.1105 40 °C 0.530 0.0973 45 °C 0.479 0.0860 50 °C 0.436 0.0761 60 °C 0.359 0.0576

• ^‡Second column of table indicates solubility at each given temperature in volume of CO₂ as it would be measured at 101.3 kPa and 0 °C per volume of water.
• The solubility is given for "pure water", i.e., water which contain only CO₂. This water is going to be acidic. For example, at 25 °C the pH of 3.9 is expected (see carbonic acid). At less acidic pH values, the solubility will increase because of the pH-dependent speciation of CO₂.

Vapor pressure of solid and liquid

P in mm Hg		1	10	40	100	400	760	1520	3800	7600	15200	30400	45600
P in atm (2sf, derived from mm Hg)		0.0013	0.013	0.053	0.13	0.53	1.0	2.0	5.0	10	20	40	60
P in kPa (derived from mm Hg / atm)		0.13	1.3	5.3	13	53	101.325	202.65	506.625	1013.25	2026.5	4053	6079.5
T in °C		−134.3(s)	−119.5(s)	−108.6(s)	−100.2(s)	−85.7(s)	−78.2(s)	−69.1(s)	−56.7	−39.5	−18.9	5.9	22.4

Table data obtained from CRC Handbook of Chemistry and Physics 44th ed. Annotation "(s)" indicates equilibrium temperature of vapor over solid. Otherwise temperature is equilibrium of vapor over liquid. For kPa values, where datum is whole numbers of atmospheres exact kPa values are given, elsewhere 2 significant figures derived from mm Hg data.

log of Carbon Dioxide vapor pressure. Uses formula ${\displaystyle \scriptstyle \ln P_{\text{mmHg}}=\ln {\frac {760}{101.325}}-24.03761\ln(T+273.15)-{\frac {7062.404}{T+273.15}}+166.3861+3.368548\times 10^{-5}(T+273.15)^{2}}$ obtained from CHERIC

Phase diagram

Liquid/vapor equilibrium thermodynamic data

The table below gives thermodynamic data of liquid CO₂ in equilibrium with its vapor at various temperatures. Heat content data, heat of vaporization, and entropy values are relative to the liquid state at 0 °C temperature and 3483 kPa pressure. To convert heat values to joules per mole values, multiply by 44.095 g/mol. To convert densities to moles per liter, multiply by 22.678 cm³ mol/(L·g). Data obtained from CRC Handbook of Chemistry and Physics, 44th ed. pages 2560–2561, except for critical temperature line (31.1 °C) and temperatures −30 °C and below, which are taken from Lange's Handbook of Chemistry, 10th ed. page 1463.

Carbon dioxide liquid/vapor equilibrium thermodynamic data
Temp. °C	Pvap Vapor pressure kPa	Hliq Heat content liquid J/g	Hvap Heat content vapor J/g	ΔvapHo Heat of vapor- ization J/g	ρvap Density of vapor g/cm3	ρliq Density of liquid g/cm3	Sliq Entropy liquid J/mol-°C	Svap Entropy vapor J/mol-°C
−56.6	518.3					1.179
−56.0	531.8					1.177
−54.0	579.1					1.169
−52.0	629.6					1.162
−50.0	683.4					1.155
−48.0	740.6					1.147
−46.0	801.3					1.139
−44.0	865.6					1.131
−42.0	933.8					1.124
−40.0	1005.7					1.116
−38.0	1081.9					1.108
−36.0	1161.8					1.100
−34.0	1246.2					1.092
−32.0	1335.1					1.084
−30.0	1428.6					1.075
−28.89	1521	−55.69	237.1	292.9	0.03846	1.0306	−9.48	43.41
−27.78	1575	−53.76	237.3	291.0	0.03987	1.0276	−9.13	43.21
−26.67	1630	−51.84	237.6	289.4	0.04133	1.0242	−8.78	43.01
−25.56	1686	−49.87	237.6	287.5	0.04283	1.0209	−8.45	42.78
−24.44	1744	−47.91	237.8	285.7	0.04440	1.0170	−8.10	42.56
−23.33	1804	−45.94	237.8	283.6	0.04600	1.0132	−7.75	42.36
−22.22	1866	−43.93	237.8	281.7	0.04767	1.0093	−7.40	42.14
−21.11	1928	−41.92	237.8	279.6	0.04938	1.0053	−7.05	41.94
−20.00	1993	−39.91	237.8	277.8	0.05116	1.0011	−6.68	41.71
−18.89	2059	−37.86	237.8	275.7	0.05300	0.9968	−6.31	41.49
−17.78	2114	−35.82	237.6	273.6	0.05489	0.9923	−5.98	41.27
−16.67	2197	−33.73	237.6	271.2	0.05686	0.9875	−5.61	41.05
−15.56	2269	−31.64	237.3	269.2	0.05888	0.9829	−5.26	40.83
−14.44	2343	−29.54	237.3	266.9	0.06098	0.9782	−4.91	40.61
−13.33	2418	−27.41	237.1	264.5	0.06314	0.9734	−4.54	40.39
−12.22	2495	−25.27	236.9	262.2	0.06539	0.9665	−4.17	40.15
−11.11	2574	−23.09	236.7	259.7	0.06771	0.9639	−3.80	39.92
−10.00	2654	−20.90	236.4	257.3	0.07011	0.9592	−3.43	39.68
−8.89	2738	−18.69	235.9	254.8	0.07259	0.9543	−3.06	39.46
−7.78	2823	−16.45	235.7	252.2	0.07516	0.9494	−2.69	39.22
−6.67	2910	−14.18	235.2	249.4	0.07783	0.9443	−2.32	38.98
−5.56	2999	−11.90	234.8	246.6	0.08059	0.9393	−1.94	38.74
−4.44	3090	−9.977	234.3	243.8	0.08347	0.9340	−1.57	38.50
−3.89	3136	−8.410	234.1	242.4	0.08494	0.9313	−1.37	38.37
−2.78	3230	−6.046	233.6	239.7	0.08797	0.9260	−0.98	38.12
−1.67	3327	−3.648	232.9	236.6	0.09111	0.9206	−0.59	37.88
−0.56	3425	−1.222	232.4	233.6	0.09438	0.9150	−0.20	37.62
0.56	3526	1.234	231.7	230.5	0.09776	0.9094	0.20	37.36
1.67	3629	3.728	231.0	227.3	0.1013	0.9036	0.61	37.08
2.78	3735	6.268	230.4	224.0	0.1050	0.8975	1.01	36.83
3.89	3843	8.445	229.4	220.5	0.1088	0.8914	1.42	36.55
5.00	3953	11.46	228.5	217.0	0.1128	0.8850	1.83	36.25
6.11	4067	14.13	227.6	213.4	0.1169	0.8784	2.25	35.98
7.22	4182	16.85	226.5	209.7	0.1213	0.8716	2.69	35.68
8.33	4300	19.63	225.4	205.8	0.1258	0.8645	3.12	35.39
9.44	4420	22.46	224.3	201.8	0.1306	0.8571	3.56	35.07
10.56	4544	25.36	223.1	197.7	0.1355	0.8496	4.02	34.76
11.67	4670	28.33	221.8	193.4	0.1408	0.8418	4.48	34.45
12.78	4798	31.35	220.3	188.9	0.1463	0.8338	4.94	34.11
13.89	4929	34.49	218.8	184.3	0.1521	0.8254	5.42	33.76
15.00	5063	37.30	217.2	179.5	0.1583	0.8168	5.92	33.41
16.11	5200	41.03	215.1	174.4	0.1648	0.8076	6.42	33.02
17.22	5340	44.48	213.6	169.1	0.1717	0.7977	6.96	32.66
18.33	5482	48.03	211.5	163.5	0.1791	0.7871	7.49	32.25
19.44	5628	51.71	209.4	157.6	0.1869	0.7759	8.04	31.83
20.56	5776	55.61	207.0	151.4	0.1956	0.7639	8.63	31.38
21.67	5928	59.66	204.3	144.7	0.2054	0.7508	9.24	30.90
22.78	6083	63.97	201.5	137.5	0.2151	0.7367	9.89	30.39
23.89	6240	68.58	198.4	129.8	0.2263	0.7216	10.57	29.85
25.00	6401	73.51	194.8	121.3	0.2387	0.7058	11.31	29.24
26.11	6565	78.91	190.7	111.8	0.2532	0.6894	12.10	28.60
27.22	6733	84.94	186.0	101.1	0.2707	0.6720	12.99	27.84
28.33	6902	91.88	180.4	88.49	0.2923	0.6507	14.00	26.95
29.44	7081	100.4	173.1	72.72	0.3204	0.6209	15.24	25.85
30.00	7164	105.6	168.4	62.76	0.3378	0.5992	16.01	25.15
30.56	7253	112.3	162.3	50.04	0.3581	0.5661	16.99	24.24
31.1	7391			0.00	0.4641	0.4641
Temp. °C	Pvap Vapor pressure kPa	Hliq Heat content liquid J/g	Hvap Heat content vapor J/g	ΔvapHo Heat of vapor- ization J/g	ρvap Density of vapor g/cm3	ρliq Density of liquid g/cm3	Sliq Entropy liquid J/mol-°C	Svap Entropy vapor J/mol-°C

Spectral data

UV-Vis
λmax	? nm
Extinction coefficient, ε	?
IR [lower-alpha 1]
Major absorption bands [16] [17] [18]	2347 and 667 cm−1 (4.26 and 14.99 um)
NMR
Proton NMR	not applicable
Carbon-13 NMR	125.0 [19]
MS
Masses of main fragments

Notes

1. Because nitrogen and oxygen are symmetrical and carbon dioxide and water vapor are not, the air in an infrared spectrophotometer may show absorbances for CO₂ and water. This is easily overcome by subtracting a blank spectrum from the experimental spectrum, and instruments are often purged with dry nitrogen as well.

References

1. "Refractive index of gases". NPL. Archived from the original on 7 October 2010. Retrieved 7 April 2010.
2. Darwent, B. deB. (1970). "Bond Dissociation Energies in Simple Molecules" Nat. Stand. Ref. Data Ser., Nat. Bur. Stand. (U.S.) 31, 52 pages.
3. "CCCBDB listing of experimental data page 2". cccbdb.nist.gov. Retrieved 1 December 2018.
4. Anderson, Kelly E.; Mielke, Steven L.; Siepmann, J. Ilja; Truhlar, Donald G. (12 March 2009). "Bond Angle Distributions of Carbon Dioxide in the Gas, Supercritical, and Solid Phases". The Journal of Physical Chemistry A. 113 (10): 2053–2059. doi:10.1021/jp808711y. ISSN   1089-5639.
5. Lange's Handbook of Chemistry, 10th ed. pp. 1669–1674
6. "Gas Encyclopaedia". Air Liquide. Archived from the original on 23 November 2016. Retrieved 1 June 2007.
7. "Pure Component Properties" (Queriable database). Chemical Engineering Research Information Center. Retrieved 8 May 2007.
8. "Carbon dioxide 화학공학소재연구정보센터(CHERIC) | 연구정보 | KDB | Pure Component Properties". www.cheric.org.
9. Giauque, W. F.; Egan, C. J. (1937). "Carbon Dioxide. The Heat Capacity and Vapor Pressure of the Solid. The Heat of Sublimation. Thermodynamic and Spectroscopic Values of the Entropy". The Journal of Chemical Physics. 5 (1): 45–54. Bibcode:1937JChPh...5...45G. doi:10.1063/1.1749929.
10. "Liquid Heat Capcity of CARBON DIOXIDE 화학공학소재연구정보센터(CHERIC) | 연구정보 | KDB | Pure Component Properties". www.cheric.org.
11. Lange's Handbook of Chemistry, 10th ed, pp. 1525–1528.
12. "Ideal Gas Heat Capacity of CARBON DIOXIDE 화학공학소재연구정보센터(CHERIC) | 연구정보 | KDB | Pure Component Properties". www.cheric.org.
13. Lange's Handbook of Chemistry, 10th ed, pp. 1522–1524.
14. Lange's Handbook of Chemistry, 10th ed. pp. 1573–1576.
15. Lange's Handbook of Chemistry, 10th ed., p. 1100
16. Martin, P. E.; Barker, E. F. (1932). "The Infrared Absorption Spectrum of Carbon Dioxide". Physical Review. 41 (3): 291–303. Bibcode:1932PhRv...41..291M. doi:10.1103/PhysRev.41.291. ISSN   0031-899X.
17. Ottonello-Briano, Floria; Errando-Herranz, Carlos; Rödjegård, Henrik; Martin, Hans; Sohlström, Hans; Gylfason, Kristinn B. (2019). "Carbon dioxide absorption spectroscopy with a mid-infrared silicon photonic waveguide". Optics Letters. 45 (1): 109. arXiv: 1907.06967 . doi:10.1364/OL.45.000109. ISSN   0146-9592. S2CID   196831810.
18. Reichle, Henry G. (May 1969), The Effect of Several Infrared Transparent Broadening Gases on the Absorption of Infrared Radiation in the 15 μm Band of Carbon Dioxide (PDF), High Altitude Engineering Laboratory, p. 43, 19690019487
19. Reich, H. J. "C-13 Chemical Shifts". Organic Chem Info. University of Wisconsin. Archived from the original on 2 March 2015. Retrieved 31 May 2015.

• Linstrom, Peter J.; Mallard, William G. (eds.); NIST Chemistry WebBook, NIST Standard Reference Database Number 69, National Institute of Standards and Technology, Gaithersburg (MD)

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• Except where noted otherwise, data relate to Standard temperature and pressure.
• Reliability of data general note.