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This page provides supplementary chemical data on carbon dioxide.

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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, nD1.000449 at 589.3 nm and 0 °C1
Dielectric constant, εr1.60 ε0 at 0 °C, 50 atm
Average energy per C=O bond804.4 kJ/mol at 298 K (25 °C)2
Bond lengthC=O 116.21 pm (1.1621 Å)3
Bond angleO–C–O: 180° (STP),4 decreasing to as low as 163° at higher temperature and/or pressure5
Magnetic susceptibility−0.49×10^−6 cm^3/mol
Surface tension4.34 dyn/cm at 20 °Cand equilibrium pressure
Viscosity6 of liquidat equilibrium pressure0.0925 mPa·s at 5 °C0.0852 mPa·s at 10 °C0.0712 mPa·s at 20 °C0.0625 mPa·s at 25 °C0.0321 mPa·s at 31.1 °C

Thermodynamic properties

Phase behavior
Triple point216.58 K (−56.57 °C), 518.5 kPa
Critical point304.18 K (31.03 °C), 7.38 MPa
Std enthalpy changeof fusion, ΔfusHo9.019 kJ/mol at triple point7
Entropy changeof fusion, ΔfusS40 J/(mol·K) at triple point
Std enthalpy changeof vaporization,89 ΔvapHo15.326 kJ/mol at 215.7 K (−57.5 °C) (348 J/g)
Std entropy changeof vaporization, ΔvapSo70.8 J/(mol·K)
Solid properties
Std enthalpy changeof formation, ΔfHosolid−427.4 kJ/mol
Standard molar entropy,10Sosolid51.07 J/(mol·K)
Heat capacity,11 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 changeof formation, ΔfHoliquid−393.5kJ/mol
Standard molar entropy,Soliquid213.7J/(mol K)
Heat capacity,12 cp80—150 J/(mol·K) at 220—290 K
Gas properties
Std enthalpy changeof formation, ΔfHogas−393.52 kJ/mol
Standard molar entropy,Sogas213.79 J/(mol·K)
Heat capacity,1314 cp

33.89 J/(mol K) at –75 °C36.33 J/(mol K) at 0 °C36.61 J/(mol K) at 15 °C38.01 J/(mol K) at 100 °C43.81 J/(mol K) at 400 °C50.87 J/(mol K) at 1000 °C56.91 J/(mol K) at 2000 °C53.01 J/(mol K) at 38 °C, 2457 kPa60.01 J/(mol K) at 38 °C, 5482 kPa183.1 J/(mol K) at 38 °C, 8653 kPa

Heat capacity ratio15γ = cp/cv

1.37 at –75 °C1.310 at 0 °C1.304 at 15 °C1.281 at 100 °C1.235 at 400 °C1.195 at 1000 °C1.171 at 2000 °C

van der Waals' constants16a = 363.96 L2 kPa/mol2b = 0.04267 liter per mole
Equilibrium with carbon monoxide17

CO + ⁠1/2⁠O2 → CO2

K = [ CO 2 ] [ CO ] [ O 2 ] 1 / 2 {\displaystyle {\frac {[{\ce {CO2}}]}{[{\ce {CO}}][{\ce {O2}}]^{1/2}}}}

pK = log10 K

pK = 45.0438 at T = 298.16 KpK = 25.0054 at T = 500 KpK = 16.5383 at T = 700 KpK = 11.8409 at T = 900 KpK = 8.8583 at T = 1100 KpK = 6.7989 at T = 1300 KpK = 5.2943 at T = 1500 K

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Solubility in water at various temperatures

Aqueous Solubility of CO2 at 101.3 kPa (1 atm) partial pressure18
Temperature‡DissolvedCO2 volumeper volume H2Ograms CO2 per100 ml H2O
0 °C1.7130.3346
1 °C1.6460.3213
2 °C1.5840.3091
3 °C1.5270.2978
4 °C1.4730.2871
5 °C1.4240.2774
6 °C1.3770.2681
7 °C1.3310.2589
8 °C1.2820.2492
9 °C1.2370.2403
10 °C1.1940.2318
11 °C1.1540.2239
12 °C1.1170.2165
13 °C1.0830.2098
14 °C1.0500.2032
15 °C0.988190.1970
16 °C0.9850.1903
17 °C0.9560.1845
Temperature‡DissolvedCO2 volumeper volume H2Ograms CO2 per100 ml H2O
18 °C0.9280.1789
19 °C0.9020.1737
20 °C0.8780.1688
21 °C0.8540.1640
22 °C0.8290.1590
23 °C0.8040.1540
24 °C0.7810.1493
25 °C0.7590.1449
26 °C0.7380.1406
27 °C0.7180.1366
28 °C0.6990.1327
29 °C0.6820.1292
30 °C0.6550.1257
35 °C0.5920.1105
40 °C0.5300.0973
45 °C0.4790.0860
50 °C0.4360.0761
60 °C0.3590.0576
  • ‡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

T in °C−134.3(s)−119.5(s)−108.6(s)−100.2(s)−85.7(s)−78.2(s)−69.1(s)−56.7−39.5−18.95.922.4
P in mm Hg11040100400760152038007600152003040045600
P in atm (2sf, derived from mm Hg)0.00130.0130.0530.130.531.02.05.010204060
P in kPa (derived from mm Hg / atm)0.131.35.31353101.325202.65506.6251013.252026.540536079.5

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.

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.°CPvapVaporpressurekPaHliqHeatcontentliquidJ/gHvapHeatcontentvaporJ/gΔvapHoHeat ofvapor-izationJ/gρvapDensityof vaporg/cm3ρliqDensityof liquidg/cm3SliqEntropyliquidJ/mol-°CSvapEntropyvaporJ/mol-°C
−56.6518.31.179
−56.0531.81.177
−54.0579.11.169
−52.0629.61.162
−50.0683.41.155
−48.0740.61.147
−46.0801.31.139
−44.0865.61.131
−42.0933.81.124
−40.01005.71.116
−38.01081.91.108
−36.01161.81.100
−34.01246.21.092
−32.01335.11.084
−30.01428.61.075
−28.891521−55.69237.1292.90.038461.0306−9.4843.41
−27.781575−53.76237.3291.00.039871.0276−9.1343.21
−26.671630−51.84237.6289.40.041331.0242−8.7843.01
−25.561686−49.87237.6287.50.042831.0209−8.4542.78
−24.441744−47.91237.8285.70.044401.0170−8.1042.56
−23.331804−45.94237.8283.60.046001.0132−7.7542.36
−22.221866−43.93237.8281.70.047671.0093−7.4042.14
−21.111928−41.92237.8279.60.049381.0053−7.0541.94
−20.001993−39.91237.8277.80.051161.0011−6.6841.71
−18.892059−37.86237.8275.70.053000.9968−6.3141.49
−17.782114−35.82237.6273.60.054890.9923−5.9841.27
−16.672197−33.73237.6271.20.056860.9875−5.6141.05
−15.562269−31.64237.3269.20.058880.9829−5.2640.83
−14.442343−29.54237.3266.90.060980.9782−4.9140.61
−13.332418−27.41237.1264.50.063140.9734−4.5440.39
−12.222495−25.27236.9262.20.065390.9665−4.1740.15
−11.112574−23.09236.7259.70.067710.9639−3.8039.92
−10.002654−20.90236.4257.30.070110.9592−3.4339.68
−8.892738−18.69235.9254.80.072590.9543−3.0639.46
−7.782823−16.45235.7252.20.075160.9494−2.6939.22
−6.672910−14.18235.2249.40.077830.9443−2.3238.98
−5.562999−11.90234.8246.60.080590.9393−1.9438.74
−4.443090−9.977234.3243.80.083470.9340−1.5738.50
−3.893136−8.410234.1242.40.084940.9313−1.3738.37
−2.783230−6.046233.6239.70.087970.9260−0.9838.12
−1.673327−3.648232.9236.60.091110.9206−0.5937.88
−0.563425−1.222232.4233.60.094380.9150−0.2037.62
0.5635261.234231.7230.50.097760.90940.2037.36
1.6736293.728231.0227.30.10130.90360.6137.08
2.7837356.268230.4224.00.10500.89751.0136.83
3.8938438.445229.4220.50.10880.89141.4236.55
5.00395311.46228.5217.00.11280.88501.8336.25
6.11406714.13227.6213.40.11690.87842.2535.98
7.22418216.85226.5209.70.12130.87162.6935.68
8.33430019.63225.4205.80.12580.86453.1235.39
9.44442022.46224.3201.80.13060.85713.5635.07
10.56454425.36223.1197.70.13550.84964.0234.76
11.67467028.33221.8193.40.14080.84184.4834.45
12.78479831.35220.3188.90.14630.83384.9434.11
13.89492934.49218.8184.30.15210.82545.4233.76
15.00506337.30217.2179.50.15830.81685.9233.41
16.11520041.03215.1174.40.16480.80766.4233.02
17.22534044.48213.6169.10.17170.79776.9632.66
18.33548248.03211.5163.50.17910.78717.4932.25
19.44562851.71209.4157.60.18690.77598.0431.83
20.56577655.61207.0151.40.19560.76398.6331.38
21.67592859.66204.3144.70.20540.75089.2430.90
22.78608363.97201.5137.50.21510.73679.8930.39
23.89624068.58198.4129.80.22630.721610.5729.85
25.00640173.51194.8121.30.23870.705811.3129.24
26.11656578.91190.7111.80.25320.689412.1028.60
27.22673384.94186.0101.10.27070.672012.9927.84
28.33690291.88180.488.490.29230.650714.0026.95
29.447081100.4173.172.720.32040.620915.2425.85
30.007164105.6168.462.760.33780.599216.0125.15
30.567253112.3162.350.040.35810.566116.9924.24
31.173910.000.46410.4641
Temp.°CPvapVaporpressurekPaHliqHeatcontentliquidJ/gHvapHeatcontentvaporJ/gΔvapHoHeat ofvapor-izationJ/gρvapDensityof vaporg/cm3ρliqDensityof liquidg/cm3SliqEntropyliquidJ/mol-°CSvapEntropyvaporJ/mol-°C

Spectral data

UV-Vis
λmax? nm
Extinction coefficient, ε?
IR19
Major absorption bands2021222347 and 667 cm−1

(4.26 and 14.99 um)

NMR
Proton NMRnot applicable
Carbon-13 NMR125.023
MS
Masses of main fragments

Notes

  • 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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References

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  2. Darwent, B. deB. (1970). "Bond Dissociation Energies in Simple Molecules" Nat. Stand. Ref. Data Ser., Nat. Bur. Stand. (U.S.) 31, 52 pages. ↩

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  9. "Carbon dioxide 화학공학소재연구정보센터(CHERIC) | 연구정보 | KDB | Pure Component Properties". www.cheric.org. https://www.cheric.org/research/kdb/hcprop/showprop.php ↩

  10. 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. /wiki/Bibcode_(identifier) ↩

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  19. 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. ↩

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