Carbon disulfide
- Formula: CS2
- Molecular weight: 76.141
- IUPAC Standard InChIKey: QGJOPFRUJISHPQ-UHFFFAOYSA-N
- CAS Registry Number: 75-15-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Carbon bisulfide; Carbon sulfide (CS2); Dithiocarbonic anhydride; CS2; Carbon sulfide; Carbon-disulphide-; Carbon bisulphide; Carbon sulphide; Kohlendisulfid; Koolstofdisulfide; NCI-C04591; Rcra waste number P022; Schwefelkohlenstoff; Solfuro di carbonio; Sulphocarbonic anhydride; UN 1131; Weeviltox; Wegla dwusiarczek; Alcohol of sulfur; Carbon bisulfuret; Methyl disulfide; Sulfocarbonic anhydride
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Gas phase thermochemistry data
Go To: Top, Phase change data, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 116.94 | kJ/mol | Review | Chase, 1998 | Data last reviewed in December, 1976 |
ΔfH°gas | 117.1 ± 0.79 | kJ/mol | Ccr | Good, Lacina, et al., 1961 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°gas | -1112. | kJ/mol | Ccb | Guerin, Marthe, et al., 1949 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 237.98 | J/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1976 |
Gas Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 1000. | 1000. to 6000. |
---|---|---|
A | 35.85391 | 61.25292 |
B | 52.49121 | 1.378826 |
C | -40.83743 | -0.140520 |
D | 12.00155 | 0.009284 |
E | -0.224831 | -3.244044 |
F | 103.5030 | 90.07106 |
G | 266.1597 | 299.4091 |
H | 116.9432 | 116.9432 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in December, 1976 | Data last reviewed in December, 1976 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 319.2 ± 0.6 | K | AVG | N/A | Average of 13 out of 14 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 161. ± 3. | K | AVG | N/A | Average of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 161.11 | K | N/A | Brown and Manov, 1937 | Uncertainty assigned by TRC = 0.02 K; TRC |
Ttriple | 161.59 | K | N/A | Stull, 1937 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 552. | K | N/A | Majer and Svoboda, 1985 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 27.5 ± 0.6 | kJ/mol | AVG | N/A | Average of 6 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
26.74 | 319.4 | N/A | Majer and Svoboda, 1985 | |
28.7 | 270. | N/A | Dykyj, Svoboda, et al., 1999 | Based on data from 255. to 354. K.; AC |
27.1 | 369. | N/A | Dykyj, Svoboda, et al., 1999 | Based on data from 354. to 552. K.; AC |
28.5 | 275. | A | Stephenson and Malanowski, 1987 | Based on data from 260. to 353. K.; AC |
27.4 | 353. | A | Stephenson and Malanowski, 1987 | Based on data from 338. to 408. K.; AC |
27.0 | 403. | A | Stephenson and Malanowski, 1987 | Based on data from 388. to 497. K.; AC |
28.7 | 505. | A | Stephenson and Malanowski, 1987 | Based on data from 490. to 533. K.; AC |
28.7 | 270. | EB | Boublík and Aim, 1972 | Based on data from 255. to 318. K. See also Stephenson and Malanowski, 1987.; AC |
28.1 | 292. | EB | Waddington, Smith, et al., 1962 | Based on data from 277. to 353. K.; AC |
28.1 ± 0.1 | 282. | C | Waddington, Smith, et al., 1962 | AC |
26.7 ± 0.1 | 319. | C | Waddington, Smith, et al., 1962 | AC |
27.6 | 318. | N/A | Thomson, 1946 | Based on data from 303. to 358. K.; AC |
Enthalpy of vaporization
ΔvapH =
A exp(-βTr) (1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kJ/mol)
Tr = reduced temperature (T / Tc)
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Temperature (K) | A (kJ/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
282. to 319. | 37.07 | 0.2264 | 552. | Majer and Svoboda, 1985 |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
276.74 to 353.08 | 4.06683 | 1168.62 | -31.616 | Waddington, Smith, et al., 1962 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
4.389 | 161.11 | Brown and Manov, 1937, 2 | DH |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
27.24 | 161.11 | Brown and Manov, 1937, 2 | DH |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Phase change data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | NIST Mass Spectrometry Data Center, 1990. |
NIST MS number | 118705 |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
Good, Lacina, et al., 1961
Good, W.D.; Lacina, J.L.; McCullough, J.P.,
Methanethiol and carbon disulfide: Heats of combustion and formation by rotating-bomb calorimetry,
J. Phys. Chem., 1961, 65, 2229-2231. [all data]
Guerin, Marthe, et al., 1949
Guerin, M.H.; Marthe, M.; Bastick, J.; Adam-Gironne, J.,
Sur la chaleur de combustion du sulfure de carbon,
Compt. Rend., 1949, 228, 87-89. [all data]
Brown and Manov, 1937
Brown, O.L.I.; Manov, G.G.,
The heat capacity of carbon disulfide from 15 to 300 k: the entropy and heat of fusion of carbon disulfide,
J. Am. Chem. Soc., 1937, 59, 500. [all data]
Stull, 1937
Stull, D.R.,
A Semi-micro Calorimeter for Measuring Heat Capacities at Low Temp.,
J. Am. Chem. Soc., 1937, 59, 2726. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Dykyj, Svoboda, et al., 1999
Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.L.; Hall, K.R.,
Vapor Pressure of Chemicals: Part A. Vapor Pressure and Antoine Constants for Hydrocarbons and Sulfur, Selenium, Tellurium and Hydrogen Containing Organic Compounds, Springer, Berlin, 1999, 373. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Boublík and Aim, 1972
Boublík, T.; Aim, K.,
Heats of vaporization of simple non-spherical molecule compounds,
Collect. Czech. Chem. Commun., 1972, 37, 11, 3513-3521, https://doi.org/10.1135/cccc19723513
. [all data]
Waddington, Smith, et al., 1962
Waddington, Guy; Smith, J.C.; Williamson, K.D.; Scott, D.W.,
CARBON DISULFIDE AS A REFERENCE SUBSTANCE FOR VAPOR-FLOW CALORIMETRY; THE CHEMICAL THERMODYNAMIC PROPERTIES,
J. Phys. Chem., 1962, 66, 6, 1074-1077, https://doi.org/10.1021/j100812a025
. [all data]
Thomson, 1946
Thomson, George Wm.,
The Antoine Equation for Vapor-pressure Data.,
Chem. Rev., 1946, 38, 1, 1-39, https://doi.org/10.1021/cr60119a001
. [all data]
Brown and Manov, 1937, 2
Brown, O.L.I.; Manov, G.G.,
The heat capacity of carbon disulfide from 15 to 300°K. The entropy and heat of fusion of carbon disulfide,
J. Am. Chem. Soc., 1937, 59, 500-502. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature ΔcH°gas Enthalpy of combustion of gas at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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