Carbon Tetrachloride
- Formula: CCl4
- Molecular weight: 153.823
- IUPAC Standard InChIKey: VZGDMQKNWNREIO-UHFFFAOYSA-N
- CAS Registry Number: 56-23-5
- 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: Methane, tetrachloro-; Benzinoform; Carbon chloride (CCl4); Carbona; Fasciolin; Flukoids; Freon 10; Necatorina; Perchloromethane; Tetrachlorocarbon; Tetrachloromethane; Tetrafinol; Tetraform; Tetrasol; Univerm; Vermoestricid; CCl4; Benzenoform; Carbon tet; Methane tetrachloride; Czterochlorek wegla; ENT 4,705; Halon 1040; Necatorine; R 10; Tetrachloorkoolstof; Tetrachloormetaan; Tetrachlorkohlenstoff, tetra; Tetrachlormethan; Tetrachlorure de carbone; Tetraclorometano; Tetracloruro di carbonio; Chlorid uhlicity; ENT 27164; Rcra waste number U211; UN 1846; Katharin; Seretin; Thawpit; NSC 97063; R 10 (Refrigerant)
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Phase change data
Go To: Top, IR Spectrum, 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
BS - Robert L. Brown and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 349.8 ± 0.3 | K | AVG | N/A | Average of 82 out of 89 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 250.3 ± 0.3 | K | AVG | N/A | Average of 31 out of 37 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 249. ± 3. | K | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 556.36 | K | N/A | Altunin, Geller, et al., 1987 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tc | 556.4 | K | N/A | Majer and Svoboda, 1985 | |
Tc | 556.3 | K | N/A | Campbell and Chatterjee, 1969 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tc | 558.35 | K | N/A | Livingston, Morgan, et al., 1908 | Uncertainty assigned by TRC = 5. K; calculation based on extrap. of density and surface tension; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 44.34 | atm | N/A | Altunin, Geller, et al., 1987 | Uncertainty assigned by TRC = 0.49 atm; TRC |
Pc | 44.980 | atm | N/A | Campbell and Chatterjee, 1969 | Uncertainty assigned by TRC = 0.09998 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 3.62 | mol/l | N/A | Campbell and Chatterjee, 1969 | Uncertainty assigned by TRC = 0.02 mol/l; TRC |
ρc | 3.625 | mol/l | N/A | Kordes, 1954 | Uncertainty assigned by TRC = 0.02 mol/l; TRC |
ρc | 3.625 | mol/l | N/A | Lewis, 1953 | Uncertainty assigned by TRC = 0.03 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 7.7 ± 0.4 | kcal/mol | AVG | N/A | Average of 7 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
7.127 | 349.9 | N/A | Majer and Svoboda, 1985 | |
7.27 | 364. | A | Stephenson and Malanowski, 1987 | Based on data from 349. to 416. K.; AC |
6.98 | 427. | A | Stephenson and Malanowski, 1987 | Based on data from 412. to 497. K.; AC |
7.31 | 509. | A | Stephenson and Malanowski, 1987 | Based on data from 494. to 555. K.; AC |
8.05 | 277. | A,EB | Stephenson and Malanowski, 1987 | Based on data from 262. to 349. K. See also Boublík and Aim, 1972.; AC |
7.72 | 308. | N/A | Hildenbrand and McDonald, 1959 | Based on data from 293. to 351. K.; AC |
7.58 | 325. | N/A | Barker, Brown, et al., 1953 | Based on data from 313. to 338. K.; AC |
Enthalpy of vaporization
ΔvapH =
A exp(-βTr) (1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kcal/mol)
Tr = reduced temperature (T / Tc)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A (kcal/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
298. to 358. | 10.96 | 0.2656 | 556.4 | Majer and Svoboda, 1985 |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
293.03 to 350.86 | 4.01720 | 1221.781 | -45.739 | Hildenbrand and McDonald, 1959, 2 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
9.06 | 227. to 248. | N/A | Goto, Fujinawa, et al., 1996 | AC |
10.3 | 226. | B | Bondi, 1963 | AC |
9.27 | 217. | N/A | Jones, 1960 | Based on data from 209. to 225. K. See also Goto, Fujinawa, et al., 1996.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
0.643 | 249. | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
4.897 | 224.6 | Domalski and Hearing, 1996 | CAL |
2.586 | 249. | ||
4.85 | 225.4 | ||
2.41 | 250.3 | ||
4.90 | 225.7 | ||
2.44 | 250.5 |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
1.107 | 225.7 | crystaline, II | crystaline, I | Morrison and Richards, 1976 | DH |
0.6123 | 250.53 | crystaline, I | liquid | Morrison and Richards, 1976 | DH |
0.4417 | 245.70 | crystaline, II | liquid | Arentsen and Van Miltenburg, 1972 | DH |
0.6185 | 250.28 | crystaline, I | liquid | Arentsen and Van Miltenburg, 1972 | Stable phase.; DH |
1.095 | 225.35 | crystaline, II | crystaline, I | Chang and Westrum, 1970 | DH |
0.6011 | 250.3 | crystaline, I | liquid | Chang and Westrum, 1970 | DH |
1.095 | 225.35 | crystaline, II | crystaline, I | Hicks, Hooley, et al., 1944 | DH |
0.6011 | 250.3 | crystaline, I | liquid | Hicks, Hooley, et al., 1944 | DH |
1.099 | 224.6 | crystaline, II | crystaline, I | Latimer, 1922 | DH |
0.6439 | 249. | crystaline, I | liquid | Latimer, 1922 | DH |
1.100 | 225.63 | crystaline, II | crystaline, I | Stull, 1937 | DH |
0.5810 | 250.37 | crystaline, I | liquid | Stull, 1937 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
4.904 | 225.7 | crystaline, II | crystaline, I | Morrison and Richards, 1976 | DH |
2.4441 | 250.53 | crystaline, I | liquid | Morrison and Richards, 1976 | DH |
1.80 | 245.70 | crystaline, II | liquid | Arentsen and Van Miltenburg, 1972 | DH |
2.443 | 250.28 | crystaline, I | liquid | Arentsen and Van Miltenburg, 1972 | Stable; DH |
4.859 | 225.35 | crystaline, II | crystaline, I | Chang and Westrum, 1970 | DH |
2.400 | 250.3 | crystaline, I | liquid | Chang and Westrum, 1970 | DH |
4.859 | 225.35 | crystaline, II | crystaline, I | Hicks, Hooley, et al., 1944 | DH |
2.402 | 250.3 | crystaline, I | liquid | Hicks, Hooley, et al., 1944 | DH |
4.90 | 224.6 | crystaline, II | crystaline, I | Latimer, 1922 | DH |
2.58 | 249. | crystaline, I | liquid | Latimer, 1922 | DH |
6.310 | 225.63 | crystaline, II | crystaline, I | Stull, 1937 | DH |
2.32 | 250.37 | crystaline, I | liquid | Stull, 1937 | DH |
IR Spectrum
Go To: Top, Phase change data, Mass spectrum (electron ionization), References, Notes
Data compiled by: Coblentz Society, Inc.
- GAS (100 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH II) FROM HARD COPY; 2 cm-1 resolution
- GAS (ABOUT 100 mmHg DILUTED WITH NITROGEN); DOW KBr FOREPRISM; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
- LIQUID (NEAT); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm-1 resolution
- SOLUTION (1% CS2); BECKMAN IR-9 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 2 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Data compiled by: Pamela M. Chu, Franklin R. Guenther, George C. Rhoderick, and Walter J. Lafferty
- gas; IFS66V (Bruker); 3-Term B-H Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Boxcar Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Happ Genzel Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); NB Strong Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Triangular Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution
Mass spectrum (electron ionization)
Go To: Top, Phase change data, IR Spectrum, 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
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
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, 1998. |
NIST MS number | 291258 |
References
Go To: Top, Phase change data, IR Spectrum, 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.
Altunin, Geller, et al., 1987
Altunin, V.V.; Geller, V.Z.; Kremenvskaya, E.A.; Perel'shtein, I.I.; Petrov, E.K.,
Thermophysical Properties of Freons, Methane Ser. Part 2, Vol. 9, NSRDS-USSR, Selover, T. B., Ed., Hemisphere, New York, 1987. [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]
Campbell and Chatterjee, 1969
Campbell, A.N.; Chatterjee, R.M.,
The critical constants and orthobaric densities of acetone, chloroform benzene, and carbon tetrachloride,
Can. J. Chem., 1969, 47, 3893-8. [all data]
Livingston, Morgan, et al., 1908
Livingston, J.; Morgan, R.; Higgins, E.,
The Weight of Falling Drops and Tate's Laws. Determination of Molecular Weights and Critical Temp. of Liquids Using Drop Weights: II.,
Z. Phys. Chem., Stoechiom. Verwandtschaftsl., 1908, 64, 170. [all data]
Kordes, 1954
Kordes, E.,
The heterogeneous vapor-liquid equilibrium. II. Calculation of the density of liquids and vapors as well as the necessary degrees of filling of the autoclave in the work with liquids at high temp,
Z. Elektrochem., 1954, 58, 76-80. [all data]
Lewis, 1953
Lewis, D.T.,
The Determination of the Critical Constants of Liquid Explosives,
J. Appl. Chem., 1953, 3, 154. [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]
Hildenbrand and McDonald, 1959
Hildenbrand, D.L.; McDonald, R.A.,
The Heat of Vaporization and Vapor Pressure of Carbon Tetrachloride; The Entropy from Calorimetric Data.,
J. Phys. Chem., 1959, 63, 9, 1521-1522, https://doi.org/10.1021/j150579a053
. [all data]
Barker, Brown, et al., 1953
Barker, J.A.; Brown, I.; Smith, F.,
Thermodynamic properties of alcohol solutions. The system ethanol + carbon tetrachloride,
Discuss. Faraday Soc., 1953, 15, 142, https://doi.org/10.1039/df9531500142
. [all data]
Hildenbrand and McDonald, 1959, 2
Hildenbrand, D.L.; McDonald, R.A.,
The Heat of Vaporization and Vapor Pressure of Carbon Tetrachloride; the Entropy from Calorimetric Data,
J. Phys. Chem., 1959, 63, 9, 1521-1523, https://doi.org/10.1021/j150579a053
. [all data]
Goto, Fujinawa, et al., 1996
Goto, Hirotoshi; Fujinawa, Tasuku; Asahi, Hidemasa; Inabe, Tamotsu; Ogata, Hironori; Miyajima, Seiichi; Maruyama, Yusei,
Crystal Structures and Physical Properties of 1,6-Diaminopyrene-p-chloranil (DAP-CHL) Charge-Transfer Complex. Two Polymorphs and Their Unusual Electrical Properties.,
Bull. Chem. Soc. Jpn., 1996, 69, 1, 85-93, https://doi.org/10.1246/bcsj.69.85
. [all data]
Bondi, 1963
Bondi, A.,
Heat of Siblimation of Molecular Crystals: A Catalog of Molecular Structure Increments.,
J. Chem. Eng. Data, 1963, 8, 3, 371-381, https://doi.org/10.1021/je60018a027
. [all data]
Jones, 1960
Jones, A.H.,
Sublimation Pressure Data for Organic Compounds.,
J. Chem. Eng. Data, 1960, 5, 2, 196-200, https://doi.org/10.1021/je60006a019
. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Morrison and Richards, 1976
Morrison, J.A.; Richards, E.J.,
Thermodynamic study of phase transitions in carbon tetrachloride,
J. Chem. Thermodynam., 1976, 8, 1033-1038. [all data]
Arentsen and Van Miltenburg, 1972
Arentsen, J.G.; Van Miltenburg, J.C.,
Carbon tetrachloride. Determination of the enthalpy of transition from metastable face-centered cubic carbon tetrachloride to the stable rhombohedral modification,
J. Chem. Thermodynam., 1972, 4, 789-791. [all data]
Chang and Westrum, 1970
Chang, E.T.; Westrum,
E.F., Heat capacities and thermodynamic properties of globular molecules. XV. The binary system tetramethylmethane-tetrachloromethane,
J. Phys. Chem., 1970, 74, 2528-2538. [all data]
Hicks, Hooley, et al., 1944
Hicks, J.F.G.; Hooley, J.G.; Stephenson, C.C.,
The heat capacity of carbon tetrachloride from 15 to 300K. The heats of transition and of fusion. The entropy from thermal measurments compared with the entropy from molecular data,
J. Am. Chem. Soc., 1944, 66, 1064-1067. [all data]
Latimer, 1922
Latimer, W.M.,
The distribution of thermal energy in the tetrachlorides of carbon, silicon, titantium and tin,
J. Am. Chem. Soc., 1922, 44, 90-97. [all data]
Stull, 1937
Stull, D.R.,
A semi-micro calorimeter for measuring heat capacities at low temperatures,
J. Am. Chem. Soc., 1937, 59, 2726-2733. [all data]
Notes
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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