- InChI
- InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2
- InChI Key
- UBOXGVDOUJQMTN-UHFFFAOYSA-N
- Formula
- C2H3Cl3
- SMILES
- ClCC(Cl)Cl
- Molecular Weight1
- 133.40
- CAS
- 79-00-5
- Other Names
-
- 1,1,2-Trichlorethane
- 1,1,2-trichloroethane
- 1,2,2-trichloroethane
- CHCl2CH2Cl
- Ethane trichloride
- NCI-C04579
- NSC 405074
- R-140
- Rcra waste number U227
- Rcra waste number U359
- Trichloroethane
- Trojchloroetan(1,1,2)
- Vinyl trichloride
- freon 140
- vinyltrichloride
- «beta»-T
- «beta»-Trichloroethane
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- μ : Dipole Moment (debye).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- γ : Surface Tension (N/m).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2707 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -1098.10 ± 4.40 | kJ/mol | NIST |
| μ | 1.25 | debye | KDB |
| ΔfG° | -77.54 | kJ/mol | KDB |
| ΔfH°gas | [-148.20; -138.60] | kJ/mol |
|
| ΔfH°gas | -138.60 | kJ/mol | KDB |
| ΔfH°gas | -148.00 ± 4.00 | kJ/mol | NIST |
| ΔfH°gas | -148.20 ± 4.40 | kJ/mol | NIST |
| ΔfH°liquid | [-188.50; -188.00] | kJ/mol |
|
| ΔfH°liquid | -188.00 ± 4.00 | kJ/mol | NIST |
| ΔfH°liquid | -188.50 ± 4.40 | kJ/mol | NIST |
| ΔfusH° | 10.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [40.10; 40.30] | kJ/mol |
|
| ΔvapH° | 40.28 | kJ/mol | NIST |
| ΔvapH° | 40.10 ± 0.60 | kJ/mol | NIST |
| ΔvapH° | 40.30 ± 0.07 | kJ/mol | NIST |
| ΔvapH° | 40.20 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 40.28 ± 0.06 | kJ/mol | NIST |
| ΔvapH° | 40.30 ± 0.10 | kJ/mol | NIST |
| IE | [11.00; 11.48] | eV |
|
| IE | 11.00 | eV | NIST |
| IE | 11.48 | eV | NIST |
| log10WS | [-1.48; -1.48] |
|
|
| log10WS | -1.48 | Aq. Solubility Prediction | |
| log10WS | -1.48 | Estimated Solubility | |
| logPoct/wat | 2.029 | Crippen Calculated Property | |
| McVol | 75.760 | ml/mol | McGowan Calculated Property |
| Pc | 5140.00 | kPa | KDB |
| Inp | [713.00; 772.00] |
|
|
| Inp | 742.80 | NIST | |
| Inp | 743.10 | NIST | |
| Inp | 748.10 | NIST | |
| Inp | 745.10 | NIST | |
| Inp | 741.40 | NIST | |
| Inp | 738.70 | NIST | |
| Inp | 735.00 | NIST | |
| Inp | 744.00 | NIST | |
| Inp | 729.00 | NIST | |
| Inp | Outlier 713.00 | NIST | |
| Inp | 769.00 | NIST | |
| Inp | 739.00 | NIST | |
| Inp | Outlier 772.00 | NIST | |
| Inp | 747.50 | NIST | |
| Inp | 748.00 | NIST | |
| Inp | 747.00 | NIST | |
| Inp | 748.00 | NIST | |
| Inp | 752.00 | NIST | |
| Inp | 748.00 | NIST | |
| Inp | 752.00 | NIST | |
| Inp | 752.00 | NIST | |
| Inp | 727.00 | NIST | |
| Inp | Outlier 772.00 | NIST | |
| Inp | 748.00 | NIST | |
| Inp | 739.00 | NIST | |
| I | [1226.00; 1282.00] |
|
|
| I | 1226.00 | NIST | |
| I | 1282.00 | NIST | |
| I | 1267.00 | NIST | |
| I | 1269.00 | NIST | |
| I | 1236.00 | NIST | |
| I | 1236.00 | NIST | |
| I | 1267.00 | NIST | |
| I | 1240.00 | NIST | |
| Tboil | 386.60 | K | KDB |
| Tc | [602.00; 606.00] | K |
|
| Tc | 606.00 | K | KDB |
| Tc | 602.00 | K | NIST |
| Tfus | [235.80; 237.90] | K |
|
| Tfus | 235.80 | K | KDB |
| Tfus | 236.95 | K | Aq. Solubility Prediction |
| Tfus | Outlier 237.90 ± 0.20 | K | NIST |
| Tfus | 236.55 | K | NIST |
| Tfus | 236.60 ± 0.02 | K | NIST |
| Tfus | 236.50 ± 0.20 | K | NIST |
| Tfus | 236.58 ± 0.05 | K | NIST |
| Ttriple | [237.10; 237.10] | K |
|
| Ttriple | 237.10 ± 0.20 | K | NIST |
| Ttriple | 237.10 ± 0.20 | K | NIST |
| Vc | 0.266 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [99.38; 120.82] | J/mol×K | [357.01; 554.36] |
|
| Cp,gas | 99.38 | J/mol×K | 357.01 | Joback Calculated Property |
| Cp,gas | 103.48 | J/mol×K | 389.90 | Joback Calculated Property |
| Cp,gas | 107.37 | J/mol×K | 422.79 | Joback Calculated Property |
| Cp,gas | 111.03 | J/mol×K | 455.69 | Joback Calculated Property |
| Cp,gas | 114.49 | J/mol×K | 488.58 | Joback Calculated Property |
| Cp,gas | 117.75 | J/mol×K | 521.47 | Joback Calculated Property |
| Cp,gas | 120.82 | J/mol×K | 554.36 | Joback Calculated Property |
| Cp,liquid | [142.00; 144.00] | J/mol×K | [240.00; 250.00] |
|
| Cp,liquid | 142.00 | J/mol×K | 240.00 | Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD |
| Cp,liquid | 144.00 | J/mol×K | 250.00 | Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD |
| Cp,solid | 143.10 | J/mol×K | 251.70 | NIST |
| η | [0.0004016; 0.0058194] | Pa×s | [187.06; 357.01] |
|
| η | 0.0058194 | Pa×s | 187.06 | Joback Calculated Property |
| η | 0.0027805 | Pa×s | 215.38 | Joback Calculated Property |
| η | 0.0015774 | Pa×s | 243.71 | Joback Calculated Property |
| η | 0.0010070 | Pa×s | 272.03 | Joback Calculated Property |
| η | 0.0006996 | Pa×s | 300.36 | Joback Calculated Property |
| η | 0.0005175 | Pa×s | 328.69 | Joback Calculated Property |
| η | 0.0004016 | Pa×s | 357.01 | Joback Calculated Property |
| ΔfusH | [10.88; 11.38] | kJ/mol | [237.10; 237.90] |
|
| ΔfusH | 11.38 | kJ/mol | 237.10 | NIST |
| ΔfusH | 11.38 | kJ/mol | 237.10 | NIST |
| ΔfusH | 11.38 | kJ/mol | 237.10 | NIST |
| ΔfusH | 11.38 | kJ/mol | 237.10 | NIST |
| ΔfusH | 10.88 | kJ/mol | 237.90 | NIST |
| ΔfusH | 10.90 | kJ/mol | 237.90 | NIST |
| ΔvapH | [33.30; 38.60] | kJ/mol | [330.33; 386.90] |
|
| ΔvapH | 38.29 ± 0.63 | kJ/mol | 330.33 | NIST |
| ΔvapH | 38.60 | kJ/mol | 350.00 | NIST |
| ΔvapH | 38.30 | kJ/mol | 354.50 | NIST |
| ΔvapH | 38.20 | kJ/mol | 365.00 | NIST |
| ΔvapH | 33.30 | kJ/mol | 386.60 | KDB |
| ΔvapH | 34.82 | kJ/mol | 386.90 | NIST |
| ρl | [1409.60; 1441.00] | kg/m3 | [293.00; 313.15] |
|
| ρl | 1441.00 | kg/m3 | 293.00 | KDB |
| ρl | 1425.00 | kg/m3 | 303.15 | Excess Molar Volumes and Sound Speed in (Phenylacetonitrile + 1,2-Dichloroethane), (Phenylacetonitrile + 1,1,2-Trichloroethane), (Phenylacetonitrile + 1,1,2,2-Tetrachloroethane), (Phenylacetonitrile + Trichloroethene), and (Phenylacetonitrile + Tetrachloroethene) at Temperatures of (303.15, 308.15, and 313.15) K |
| ρl | 1416.10 | kg/m3 | 308.15 | Excess Molar Volumes and Sound Speed in (Phenylacetonitrile + 1,2-Dichloroethane), (Phenylacetonitrile + 1,1,2-Trichloroethane), (Phenylacetonitrile + 1,1,2,2-Tetrachloroethane), (Phenylacetonitrile + Trichloroethene), and (Phenylacetonitrile + Tetrachloroethene) at Temperatures of (303.15, 308.15, and 313.15) K |
| ρl | 1409.60 | kg/m3 | 313.15 | Excess Molar Volumes and Sound Speed in (Phenylacetonitrile + 1,2-Dichloroethane), (Phenylacetonitrile + 1,1,2-Trichloroethane), (Phenylacetonitrile + 1,1,2,2-Tetrachloroethane), (Phenylacetonitrile + Trichloroethene), and (Phenylacetonitrile + Tetrachloroethene) at Temperatures of (303.15, 308.15, and 313.15) K |
| ΔfusS | [45.70; 48.00] | J/mol×K | [237.10; 237.90] |
|
| ΔfusS | 48.00 | J/mol×K | 237.10 | NIST |
| ΔfusS | 48.00 | J/mol×K | 237.10 | NIST |
| ΔfusS | 45.70 | J/mol×K | 237.90 | NIST |
| γ | 0.03 | N/m | 293.20 | KDB |
Datasets
Viscosity, Pa*s
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Pressure, kPa - Liquid | Viscosity, Pa*s - Liquid |
| 308.15 | 101.00 | 0.0009 |
| Reference | ||
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 203.99] | kPa | [282.31; 412.98] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.44525e+01 | |||
| Coefficient B | -3.36081e+03 | |||
| Coefficient C | -4.50510e+01 | |||
| Temperature range, min. | 282.31 | |||
| Temperature range, max. | 412.98 | |||
| Pvap | 1.33 | kPa | 282.31 | Calculated Property |
| Pvap | 3.02 | kPa | 296.83 | Calculated Property |
| Pvap | 6.25 | kPa | 311.35 | Calculated Property |
| Pvap | 11.99 | kPa | 325.87 | Calculated Property |
| Pvap | 21.60 | kPa | 340.39 | Calculated Property |
| Pvap | 36.82 | kPa | 354.90 | Calculated Property |
| Pvap | 59.83 | kPa | 369.42 | Calculated Property |
| Pvap | 93.26 | kPa | 383.94 | Calculated Property |
| Pvap | 140.16 | kPa | 398.46 | Calculated Property |
| Pvap | 203.99 | kPa | 412.98 | Calculated Property |
| Pvap | [0.05; 4668.14] | kPa | [236.50; 602.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 6.69520e+01 | |||
| Coefficient B | -6.70908e+03 | |||
| Coefficient C | -7.67345e+00 | |||
| Coefficient D | 4.83782e-06 | |||
| Temperature range, min. | 236.50 | |||
| Temperature range, max. | 602.00 | |||
| Pvap | 0.05 | kPa | 236.50 | Calculated Property |
| Pvap | 0.96 | kPa | 277.11 | Calculated Property |
| Pvap | 8.30 | kPa | 317.72 | Calculated Property |
| Pvap | 41.22 | kPa | 358.33 | Calculated Property |
| Pvap | 141.17 | kPa | 398.94 | Calculated Property |
| Pvap | 374.11 | kPa | 439.56 | Calculated Property |
| Pvap | 827.23 | kPa | 480.17 | Calculated Property |
| Pvap | 1605.71 | kPa | 520.78 | Calculated Property |
| Pvap | 2834.66 | kPa | 561.39 | Calculated Property |
| Pvap | 4668.14 | kPa | 602.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethane, 1,1,2-trichloro-.
Mixtures
- Ethane, 1,1,2-trichloro- + Acetamide, N-methyl-
- Ethane, 1,1,2-trichloro- + Water
- Ethane, 1,1,2-trichloro- + Benzyl nitrile
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Densities and viscosities of binary liquid mixtures of N-methylacetamide with some chloroethanes and chloroethenes at T = 308.15 K
- Determination of Henry's Law Constants Using Internal Standards with Benchmark Values
- Excess Molar Volumes and Sound Speed in (Phenylacetonitrile + 1,2-Dichloroethane), (Phenylacetonitrile + 1,1,2-Trichloroethane), (Phenylacetonitrile + 1,1,2,2-Tetrachloroethane), (Phenylacetonitrile + Trichloroethene), and (Phenylacetonitrile + Tetrachloroethene) at Temperatures of (303.15, 308.15, and 313.15) K
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
- Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
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