Trichloromethane
- Formula: CHCl3
- Molecular weight: 119.378
- IUPAC Standard InChIKey: HEDRZPFGACZZDS-UHFFFAOYSA-N
- CAS Registry Number: 67-66-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Isotopologues:
- Other names: Chloroform; Freon 20; Methane, trichloro-; R 20; Trichloroform; CHCl3; Formyl trichloride; Methane trichloride; Methenyl trichloride; Methyl trichloride; Chloroforme; Cloroformio; NCI-C02686; R 20 (refrigerant); Trichloormethaan; Trichlormethan; Triclorometano; Rcra waste number U044; UN 1888; NSC 77361; F 20
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Gas phase thermochemistry data
Go To: Top, Phase change data, Henry's Law 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 as indicated in comments:
DRB - Donald R. Burgess, Jr.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -103.18 | kJ/mol | Review | Chase, 1998 | Data last reviewed in December, 1968 |
ΔfH°gas | -102.9 ± 2.5 | kJ/mol | Review | Manion, 2002 | derived from recommended ΔfHliquid° and ΔvapH°; DRB |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 295.61 | J/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1968 |
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 1200. | 1200. to 6000. |
---|---|---|
A | 44.24706 | 101.4762 |
B | 114.6734 | 3.429756 |
C | -88.81837 | -0.657348 |
D | 25.89992 | 0.043707 |
E | -0.522808 | -9.348019 |
F | -122.4891 | -155.8000 |
G | 315.7451 | 387.1556 |
H | -103.1770 | -103.1770 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in December, 1968 | Data last reviewed in December, 1968 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Henry's Law 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 334.3 ± 0.2 | K | AVG | N/A | Average of 36 out of 37 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 210. ± 2. | K | AVG | N/A | Average of 14 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 209.61 | K | N/A | Stull, 1937 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 537. ± 2. | K | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 53.2868 | bar | N/A | Campbell and Chatterjee, 1969 | Uncertainty assigned by TRC = 0.1013 bar; TRC |
Pc | 53.2868 | bar | N/A | Campbell and Chatterjee, 1968 | Uncertainty assigned by TRC = 0.0607 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 4.11 | mol/l | N/A | Campbell and Chatterjee, 1969 | Uncertainty assigned by TRC = 0.03 mol/l; TRC |
ρc | 3.84 | mol/l | N/A | Campbell and Chatterjee, 1968 | Uncertainty assigned by TRC = 0.02 mol/l; TRC |
ρc | 4.15 | mol/l | N/A | Herz and Neukirch, 1923 | Uncertainty assigned by TRC = 0.02 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 31.4 | kJ/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 31.32 ± 0.08 | kJ/mol | Review | Manion, 2002 | weighted average of several measurements plus a correction for non-ideality; DRB |
ΔvapH° | 31.1 | kJ/mol | C | Majer, Sváb, et al., 1980 | AC |
ΔvapH° | 30.5 ± 0.42 | kJ/mol | V | Mathews, 1926 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = 29.4 ± 0.2 kJ/mol; ALS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
29.24 | 334.3 | N/A | Majer and Svoboda, 1985 | |
30.8 | 321. | N/A | Chen, Wang, et al., 1995 | Based on data from 306. to 427. K.; AC |
31.8 | 254. | A | Stephenson and Malanowski, 1987 | Based on data from 227. to 269. K.; AC |
30.4 | 348. | A | Stephenson and Malanowski, 1987 | Based on data from 333. to 416. K.; AC |
28.9 | 425. | A | Stephenson and Malanowski, 1987 | Based on data from 410. to 481. K.; AC |
30.1 | 494. | A | Stephenson and Malanowski, 1987 | Based on data from 479. to 523. K.; AC |
32.5 | 275. | EB | Boublík and Aim, 1972 | Based on data from 260. to 333. K.; AC |
35.0 | 230. | N/A | Stull, 1947 | Based on data from 215. to 334. K.; AC |
30.9 | 320. | N/A | Scatchard and Raymond, 1938 | Based on data from 308. to 333. K.; AC |
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 |
---|---|---|---|---|---|
215. to 334.4 | 4.20772 | 1233.129 | -40.953 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
334.4 to 527. | 4.56992 | 1486.455 | -8.612 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
8.8 | 209.6 | Acree, 1991 | AC |
Henry's Law data
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: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
0.25 | 4500. | L | N/A | |
0.27 | 4100. | M | N/A | |
0.23 | 3800. | M | N/A | |
0.25 | M | N/A | ||
0.26 | 3900. | M | N/A | |
0.26 | 4000. | X | N/A | |
0.24 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. | |
0.49 | 7300. | M | N/A | |
0.24 | 2200. | X | N/A | |
0.23 | 5000. | X | N/A | |
0.25 | 4100. | X | Barr and Newsham, 1987 | |
0.28 | 4600. | M | Gossett, 1987 | |
0.26 | 4300. | X | N/A | |
0.23 | 4200. | X | N/A | |
0.25 | 4300. | X | N/A | |
0.24 | 4200. | M | N/A | |
0.33 | M | Nicholson, Maguire, et al., 1984 | ||
0.28 | c | Nicholson, Maguire, et al., 1984 | ||
0.32 | C | Nicholson, Maguire, et al., 1984 | ||
0.21 | C | Nicholson, Maguire, et al., 1984 | ||
0.20 | 3900. | M | N/A | Solubility in sea water. |
0.30 | 4400. | X | N/A | |
0.25 | 4100. | X | Leighton and Calo, 1981 | |
0.27 | L | N/A | ||
0.15 | 5600. | X | N/A | |
0.25 | 4600. | X | N/A | |
0.25 | V | N/A | ||
0.90 | V | N/A | Value at T = 275. K. | |
0.31 | C | N/A | ||
0.23 | V | N/A | ||
0.35 | M | Pearson and McConnell, 1975 | The same data was also published in missing citation. Value at T = 293. K. | |
0.29 | 4800. | M | N/A |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law data, 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]
Manion, 2002
Manion, J.A.,
Evaluated Enthalpies of Formation of the Stable Closed Shell C1 and C2 Chlorinated Hydrocarbons,
J. Phys. Chem. Ref. Data, 2002, 31, 1, 123-172, https://doi.org/10.1063/1.1420703
. [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]
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]
Campbell and Chatterjee, 1968
Campbell, A.N.; Chatterjee, R.M.,
Orthobaric Data of Certain Pure Liquids in the Neighborhood of the Critical Point,
Can. J. Chem., 1968, 46, 575-81. [all data]
Herz and Neukirch, 1923
Herz, W.; Neukirch, E.,
On Knowldge of the Critical State,
Z. Phys. Chem., Stoechiom. Verwandtschaftsl., 1923, 104, 433-50. [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]
Majer, Sváb, et al., 1980
Majer, V.; Sváb, L.; Svoboda, V.,
Enthalpies of vaporization and cohesive energies for a group of chlorinated hydrocarbons,
The Journal of Chemical Thermodynamics, 1980, 12, 9, 843-847, https://doi.org/10.1016/0021-9614(80)90028-2
. [all data]
Mathews, 1926
Mathews, J.H.,
The accurate measurement of heats of vaporization of liquids,
J. Am. Chem. Soc., 1926, 48, 562-576. [all data]
Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P.,
Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]
Chen, Wang, et al., 1995
Chen, Geng-Hua; Wang, Qi; Ma, Zhong-Min; Yan, Xin-Huan; Han, Shi-Jun,
Phase equilibria at superatmospheric pressures for systems containing halohydrocarbon, aromatic hydrocarbon, and alcohol,
J. Chem. Eng. Data, 1995, 40, 2, 361-366, https://doi.org/10.1021/je00018a003
. [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]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Scatchard and Raymond, 1938
Scatchard, George; Raymond, C.L.,
Vapor---Liquid Equilibrium. II. Chloroform---Ethanol Mixtures at 35, 45 and 55°,
J. Am. Chem. Soc., 1938, 60, 6, 1278-1287, https://doi.org/10.1021/ja01273a002
. [all data]
Acree, 1991
Acree, William E.,
Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation,
Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H
. [all data]
Barr and Newsham, 1987
Barr, R.S.; Newsham, D.M.T.,
Phase Equilibrtia in Very Dilute Mixtures of Water and Chlorinated Hydrocarbons. Part I - Experimental Results,
Fluid Phase Equilibria, 1987, 35, 189-205. [all data]
Gossett, 1987
Gossett, J.M.,
Measurement of Henry's Law Constants for C1 and C2 Chlorinated Hydrocarbons,
Environ. Sci. Technol., 1987, 21, 202-208. [all data]
Nicholson, Maguire, et al., 1984
Nicholson, B.C.; Maguire, B.P.; Bursill, D.B.,
Henry's Law Constants for the Trihalomethanes: Effects of Water Composition and Temperature,
Environ. Sci. Technol., 1984, 18, 518-521. [all data]
Leighton and Calo, 1981
Leighton, D.T.; Calo, J.M.,
Distribution Coefficients of Chlorinated Hydrocarbons in Dilute Air-Water Systems for Groundwater Contamination Applications,
J. Chem. Eng. Data, 1981, 26, 382-385. [all data]
Pearson and McConnell, 1975
Pearson, C.R.; McConnell, G.,
Chlorinated C1 and C2 Hydrocarbons in the Marine Environment,
Proc. R. Soc. London, B, 1975, 189, 305-332. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law data, References
- Symbols used in this document:
Pc Critical pressure 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 d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion 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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