- InChI
- InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3
- InChI Key
- UOCLXMDMGBRAIB-UHFFFAOYSA-N
- Formula
- C2H3Cl3
- SMILES
- CC(Cl)(Cl)Cl
- Molecular Weight1
- 133.40
- CAS
- 71-55-6
- Other Names
-
- 1,1,1-TCE
- 1,1,1-Trichloraethan
- 1,1,1-Trichlorethane
- 1,1,1-Trichloroethane
- 1,1,1-Tricloroetano
- ALPHA-TRICHLOROETHANE
- Aerothene TT
- CF 2
- CH3CCl3
- Chloroetene
- Chloroethene
- Chloroethene NU
- Chloroform, methyl-
- Chlorotene
- Chlorothane NU
- Chlorothene
- Chlorothene NU
- Chlorothene SM
- Chlorothene VG
- Chlorten
- Cleanite
- Distillex DS1
- Ethana
- Ethana NU
- F 140a
- Freon 140a
- Genklene LB
- HCC 140a
- ICI-CF 2
- Inhibisol
- METHYLCHLOROFORM
- Methyltrichloromethane
- NCI-C04626
- R-140a
- REFRIGERANT-140A
- Rcra waste number U226
- Solvent 111
- Solvethane
- Tafclean
- Three One A
- Three One S
- Tri-ethane
- Trichloro-1,1,1-ethane
- Trichloroethane
- Trichloromethylmethane
- UN 2831
- «alpha»-T
- «alpha»-Trichloroethane
- «alpha»-T
- «alpha»-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).
- NFPA Fire : NFPA Fire Rating.
- NFPA Health : NFPA Health Rating.
- NFPA Safety : NFPA Safety Rating.
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- n0 : Refractive Index.
- 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).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- csound,fluid : Speed of sound in fluid (m/s).
- ΔvapS : Entropy of vaporization at a given temperature (J/mol×K).
- 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 | 0.2170 | KDB | |
| ΔcH°liquid | [-1112.10; -1108.00] | kJ/mol |
|
| ΔcH°liquid | -1108.00 ± 0.79 | kJ/mol | NIST |
| ΔcH°liquid | -1112.10 ± 1.30 | kJ/mol | NIST |
| μ | 1.70 | debye | KDB |
| ΔfG° | -66.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-145.00; -142.30] | kJ/mol |
|
| ΔfH°gas | -145.00 ± 2.00 | kJ/mol | NIST |
| ΔfH°gas | -144.40 ± 1.60 | kJ/mol | NIST |
| ΔfH°gas | -142.30 ± 1.40 | kJ/mol | NIST |
| ΔfH°liquid | [-178.60; -174.00] | kJ/mol |
|
| ΔfH°liquid | -177.00 ± 2.00 | kJ/mol | NIST |
| ΔfH°liquid | -174.00 | kJ/mol | NIST |
| ΔfH°liquid | -178.60 ± 0.84 | kJ/mol | NIST |
| ΔfH°liquid | -174.80 ± 1.40 | kJ/mol | NIST |
| ΔfusH° | 6.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [32.47; 32.62] | kJ/mol |
|
| ΔvapH° | 32.62 | kJ/mol | NIST |
| ΔvapH° | 32.59 ± 0.07 | kJ/mol | NIST |
| ΔvapH° | 32.50 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 32.47 ± 0.06 | kJ/mol | NIST |
| ΔvapH° | 32.50 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 32.47 ± 0.08 | kJ/mol | NIST |
| IE | [11.00; 11.25] | eV |
|
| IE | 11.00 | eV | NIST |
| IE | 11.25 | eV | NIST |
| log10WS | [-2.04; -2.00] |
|
|
| log10WS | -2.04 | Aq. Sol... | |
| log10WS | -2.00 | Estimat... | |
| logPoct/wat | 2.377 | Crippen Calculated Property | |
| McVol | 75.760 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 1 | KDB | |
| NFPA Health | 2 | KDB | |
| NFPA Safety | 2 | KDB | |
| Pc | 4300.00 | kPa | KDB |
| Inp | [621.00; 660.00] |
|
|
| Inp | 637.00 | NIST | |
| Inp | 639.00 | NIST | |
| Inp | 637.00 | NIST | |
| Inp | 646.00 | NIST | |
| Inp | 651.00 | NIST | |
| Inp | 640.00 | NIST | |
| Inp | 650.00 | NIST | |
| Inp | 621.00 | NIST | |
| Inp | 637.00 | NIST | |
| Inp | 642.40 | NIST | |
| Inp | 623.50 | NIST | |
| Inp | 645.10 | NIST | |
| Inp | 628.00 | NIST | |
| Inp | 645.00 | NIST | |
| Inp | Outlier 660.00 | NIST | |
| Inp | 628.60 | NIST | |
| Inp | 641.00 | NIST | |
| Inp | 634.00 | NIST | |
| Inp | 634.00 | NIST | |
| Inp | 628.00 | NIST | |
| Inp | 636.00 | NIST | |
| Inp | 625.98 | NIST | |
| Inp | 636.00 | NIST | |
| Inp | 639.00 | NIST | |
| Inp | 639.00 | NIST | |
| Inp | 650.00 | NIST | |
| Inp | 626.00 | NIST | |
| Inp | 626.00 | NIST | |
| Inp | 639.00 | NIST | |
| Inp | 634.00 | NIST | |
| Inp | 621.00 | NIST | |
| Inp | 629.00 | NIST | |
| Inp | 632.00 | NIST | |
| Inp | 650.00 | NIST | |
| Inp | 634.00 | NIST | |
| Inp | 630.00 | NIST | |
| Inp | 636.00 | NIST | |
| Inp | 650.00 | NIST | |
| Inp | 621.00 | NIST | |
| Inp | 630.00 | NIST | |
| Inp | 637.00 | NIST | |
| I | [885.00; 909.11] |
|
|
| I | 898.00 | NIST | |
| I | 898.00 | NIST | |
| I | 904.35 | NIST | |
| I | 909.11 | NIST | |
| I | 897.56 | NIST | |
| I | 891.00 | NIST | |
| I | 885.00 | NIST | |
| I | 908.00 | NIST | |
| I | 900.00 | NIST | |
| I | 900.00 | NIST | |
| I | 886.00 | NIST | |
| I | 898.00 | NIST | |
| I | 891.00 | NIST | |
| S°liquid | [226.70; 227.48] | J/mol×K |
|
| S°liquid | 226.70 | J/mol×K | NIST |
| S°liquid | 227.48 | J/mol×K | NIST |
| Tboil | [347.00; 347.35] | K |
|
| Tboil | 347.24 | K | KDB |
| Tboil | 347.00 | K | Excess ... |
| Tboil | 347.35 | K | Excess ... |
| Tboil | 347.35 | K | Vapor-L... |
| Tboil | 347.35 | K | Isobari... |
| Tc | [545.00; 548.40] | K |
|
| Tc | 545.00 | K | KDB |
| Tc | 548.40 | K | NIST |
| Tfus | [231.90; 244.95] | K |
|
| Tfus | 242.70 | K | KDB |
| Tfus | 242.01 | K | Aq. Sol... |
| Tfus | 240.90 ± 0.20 | K | NIST |
| Tfus | Outlier 231.90 ± 1.20 | K | NIST |
| Tfus | 239.20 ± 1.00 | K | NIST |
| Tfus | 241.15 ± 1.00 | K | NIST |
| Tfus | 242.70 ± 0.02 | K | NIST |
| Tfus | 240.95 ± 0.20 | K | NIST |
| Tfus | 244.95 ± 0.40 | K | NIST |
| Tfus | 240.50 ± 0.30 | K | NIST |
| Tfus | 240.80 ± 0.50 | K | NIST |
| Ttriple | [240.10; 243.13] | K |
|
| Ttriple | 243.13 | K | KDB |
| Ttriple | 243.13 ± 0.02 | K | NIST |
| Ttriple | 240.10 ± 0.20 | K | NIST |
| Ttriple | 240.20 ± 0.20 | K | NIST |
| Vc | 0.283 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [100.77; 125.60] | J/mol×K | [354.22; 560.71] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 100 105 110 115 120 125 400 500 | ||||
| Cp,gas | 100.77 | J/mol×K | 354.22 | Joback Calculated Property |
| Cp,gas | 105.93 | J/mol×K | 388.64 | Joback Calculated Property |
| Cp,gas | 110.64 | J/mol×K | 423.05 | Joback Calculated Property |
| Cp,gas | 114.94 | J/mol×K | 457.47 | Joback Calculated Property |
| Cp,gas | 118.85 | J/mol×K | 491.88 | Joback Calculated Property |
| Cp,gas | 122.39 | J/mol×K | 526.30 | Joback Calculated Property |
| Cp,gas | 125.60 | J/mol×K | 560.71 | Joback Calculated Property |
| Cp,liquid | [138.90; 144.40] | J/mol×K | [257.29; 299.59] |
|
| Cp,liquid | 138.90 | J/mol×K | 257.29 | NIST |
| Cp,liquid | 144.40 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 144.31 | J/mol×K | 299.59 | NIST |
| Cp,solid | 123.00 | J/mol×K | 225.00 | NIST |
| η | [0.0004883; 0.0065153] | Pa×s | [204.48; 354.22] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 1.00e-3 2.00e-3 3.00e-3 4.00e-3 5.00e-3 6.00e-3 7.00e-3 250 300 350 | ||||
| η | 0.0065153 | Pa×s | 204.48 | Joback Calculated Property |
| η | 0.0033450 | Pa×s | 229.44 | Joback Calculated Property |
| η | 0.0019574 | Pa×s | 254.39 | Joback Calculated Property |
| η | 0.0012605 | Pa×s | 279.35 | Joback Calculated Property |
| η | 0.0008725 | Pa×s | 304.31 | Joback Calculated Property |
| η | 0.0006385 | Pa×s | 329.26 | Joback Calculated Property |
| η | 0.0004883 | Pa×s | 354.22 | Joback Calculated Property |
| ΔfusH | [0.21; 7.49] | kJ/mol | [205.00; 243.10] |
|
|
T(K) Enthalpy of fusion at a given temperature (kJ/mol) 0 1 2 3 4 5 6 7 8 210 220 230 240 | ||||
| ΔfusH | 0.21 | kJ/mol | 205.00 | NIST |
| ΔfusH | 7.45 | kJ/mol | 223.60 | NIST |
| ΔfusH | 7.47 | kJ/mol | 224.20 | NIST |
| ΔfusH | 7.49 | kJ/mol | 224.80 | NIST |
| ΔfusH | 1.88 | kJ/mol | 240.10 | NIST |
| ΔfusH | 1.88 | kJ/mol | 240.10 | NIST |
| ΔfusH | 1.88 | kJ/mol | 240.20 | NIST |
| ΔfusH | 2.35 | kJ/mol | 243.10 | NIST |
| ΔvapH | [29.40; 37.60] | kJ/mol | [247.00; 512.00] |
|
|
T(K) Enthalpy of vaporization at a given temperature (kJ/mol) 30 32 34 36 38 300 400 500 | ||||
| ΔvapH | 37.60 | kJ/mol | 247.00 | NIST |
| ΔvapH | 33.40 | kJ/mol | 279.00 | NIST |
| ΔvapH | 33.40 ± 0.10 | kJ/mol | 284.00 | NIST |
| ΔvapH | 33.31 | kJ/mol | 286.53 | NIST |
| ΔvapH | 32.30 | kJ/mol | 333.50 | NIST |
| ΔvapH | 32.40 | kJ/mol | 344.00 | NIST |
| ΔvapH | 29.86 | kJ/mol | 347.20 | NIST |
| ΔvapH | 30.50 | kJ/mol | 378.50 | NIST |
| ΔvapH | 29.40 | kJ/mol | 443.00 | NIST |
| ΔvapH | 29.50 | kJ/mol | 512.00 | NIST |
| Pvap | [16.64; 37.61] | kPa | [298.15; 318.15] |
|
| Pvap | 16.64 | kPa | 298.15 | (Vapour... |
| Pvap | 25.85 | kPa | 308.15 | (Vapour... |
| Pvap | 37.61 | kPa | 318.15 | (Vapour... |
| n0 | [1.43540; 1.43790] | [293.15; 298.15] |
|
|
|
T(K) Refractive Index 1.44 1.44 1.44 1.44 1.44 1.44 294 296 298 | ||||
| n0 | 1.43790 | 293.15 | Bubble ... | |
| n0 | 1.43540 | 298.15 | Isother... | |
| n0 | 1.43590 | 298.15 | Bubble ... | |
| n0 | 1.43600 | 298.15 | Bubble ... | |
| n0 | 1.43590 | 298.15 | Bubble-... | |
| ρl | [1294.47; 1346.17] | kg/m3 | [288.15; 318.15] |
|
|
T(K) Liquid Density (kg/m3) 1290 1300 1310 1320 1330 1340 1350 290 300 310 | ||||
| ρl | 1346.17 | kg/m3 | 288.15 | Densiti... |
| ρl | 1344.95 | kg/m3 | 288.15 | Densiti... |
| ρl | 1339.00 | kg/m3 | 298.00 | KDB |
| ρl | 1331.30 | kg/m3 | 298.15 | Volumet... |
| ρl | 1328.24 | kg/m3 | 298.15 | Volumet... |
| ρl | 1329.49 | kg/m3 | 298.15 | Densiti... |
| ρl | 1328.27 | kg/m3 | 298.15 | Densiti... |
| ρl | 1311.45 | kg/m3 | 308.15 | Densiti... |
| ρl | 1311.45 | kg/m3 | 308.15 | Volumet... |
| ρl | 1312.65 | kg/m3 | 308.15 | Densiti... |
| ρl | 1294.47 | kg/m3 | 318.15 | Densiti... |
| ρl | 1294.47 | kg/m3 | 318.15 | Volumet... |
| ρl | 1295.66 | kg/m3 | 318.15 | Densiti... |
| ΔfusS | [1.02; 33.31] | J/mol×K | [205.00; 243.10] |
|
|
T(K) Entropy of fusion at a given temperature (J/mol×K) 0 5 10 15 20 25 30 35 210 220 230 240 | ||||
| ΔfusS | 1.02 | J/mol×K | 205.00 | NIST |
| ΔfusS | 33.31 | J/mol×K | 223.60 | NIST |
| ΔfusS | 33.30 | J/mol×K | 224.20 | NIST |
| ΔfusS | 33.30 | J/mol×K | 224.80 | NIST |
| ΔfusS | 7.84 | J/mol×K | 240.10 | NIST |
| ΔfusS | 7.80 | J/mol×K | 240.20 | NIST |
| ΔfusS | 9.67 | J/mol×K | 243.10 | NIST |
| csound,fluid | [894.71; 962.94] | m/s | [298.15; 318.15] |
|
| csound,fluid | 962.94 | m/s | 298.15 | Speeds ... |
| csound,fluid | 928.68 | m/s | 308.15 | Speeds ... |
| csound,fluid | 894.71 | m/s | 318.15 | Speeds ... |
| ΔvapS | 116.26 | J/mol×K | 286.53 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.71; 4303.56] | kPa | [243.10; 545.00] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.41227e+01 | |||
| Coefficient B | -2.88621e+03 | |||
| Coefficient C | -4.35260e+01 | |||
| Temperature range, min. | 243.10 | |||
| Temperature range, max. | 545.00 | |||
|
T(K) Vapor pressure (kPa) 0 1000 2000 3000 4000 300 400 500 | ||||
| Pvap | 0.71 | kPa | 243.10 | Calculated Property |
| Pvap | 5.71 | kPa | 276.64 | Calculated Property |
| Pvap | 27.09 | kPa | 310.19 | Calculated Property |
| Pvap | 90.79 | kPa | 343.73 | Calculated Property |
| Pvap | 238.62 | kPa | 377.28 | Calculated Property |
| Pvap | 525.66 | kPa | 410.82 | Calculated Property |
| Pvap | 1014.61 | kPa | 444.37 | Calculated Property |
| Pvap | 1769.21 | kPa | 477.91 | Calculated Property |
| Pvap | 2848.66 | kPa | 511.46 | Calculated Property |
| Pvap | 4303.56 | kPa | 545.00 | Calculated Property |
| Pvap | [0.72; 4295.56] | kPa | [242.75; 545.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 8.02341e+01 | |||
| Coefficient B | -6.44789e+03 | |||
| Coefficient C | -9.92362e+00 | |||
| Coefficient D | 8.37906e-06 | |||
| Temperature range, min. | 242.75 | |||
| Temperature range, max. | 545.00 | |||
|
T(K) Vapor pressure (kPa) 0 1000 2000 3000 4000 300 400 500 | ||||
| Pvap | 0.72 | kPa | 242.75 | Calculated Property |
| Pvap | 5.77 | kPa | 276.33 | Calculated Property |
| Pvap | 27.35 | kPa | 309.92 | Calculated Property |
| Pvap | 90.54 | kPa | 343.50 | Calculated Property |
| Pvap | 233.85 | kPa | 377.08 | Calculated Property |
| Pvap | 506.76 | kPa | 410.67 | Calculated Property |
| Pvap | 968.24 | kPa | 444.25 | Calculated Property |
| Pvap | 1688.95 | kPa | 477.83 | Calculated Property |
| Pvap | 2758.14 | kPa | 511.42 | Calculated Property |
| Pvap | 4295.56 | kPa | 545.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethane, 1,1,1-trichloro-.
Mixtures
- Ethane, 1,1,1-trichloro- + Methane, nitro-
- Ethane, 1,1,1-trichloro- + Ethane, 1,2-dibromo-
- Ethane, 1,1,1-trichloro- + Cyclopentanone
- Ethane, 1,1,1-trichloro- + Ethylbenzene
- Ethane, 1,1,1-trichloro- + Cyclohexanone
- 2-Butanone + Ethane, 1,1,1-trichloro-
- Ethane, 1,1,1-trichloro- + Dimethyl Sulfoxide
- Ethane, 1,1,1-trichloro- + 2-Pyrrolidinone, 1-methyl-
- Ethane, 1,1,1-trichloro- + Cyclohexane
- Ethane, 1,1,1-trichloro- + Heptane
- Benzene, nitro- + Ethane, 1,1,1-trichloro-
- Ethane, 1,1,1-trichloro- + Benzene, chloro-
- Ethane, 1,1,1-trichloro- + Tetrahydrofuran
- Ethane, 1,1,1-trichloro- + 2-Methyl-1-butanol
- Ethane, 1,1,1-trichloro- + Water
Sources
- KDB Pure (Korean Thermophysical Properties Databank)
- KDB Vapor Pressure Data
- Crippen Method
- Speeds of sound, isentropic compressibilities and refractive indices for some binary mixtures of nitromethane with chloroalkane at temperatures from 298.15 to 318.15 K. Comparison with theories
- Excess volumes and speeds of sound of mixtures of 1,2-dibromoethane with chlorinated ethanes and ethenes at 303.15 K
- Isothermal (vapour + liquid) equilibria in the binary mixtures (1,2-dichloroethane and 1,1,1-trichloroethane with cyclopentanone) within the temperature range (298.15 to 313.15) K
- Bubble points of the binary mixtures formed by ethylbenzene with some chloroaliphatics and substituted benzenes at p = 94.7 kPa
- (Vapour + liquid) equilibria and excess Gibbs free energies of (cyclohexanone + 1- chlorobutane and + 1,1,1-trichloroethane) binary mixtures at temperatures from (298.15 to 318.15) K
- Volumetric and optical properties for some (2-butanone + chloroalkane) binary mixtures at T = 298.15 K
- Excess molar enthalpies of dimethylsulfoxide with chloroethanes and chloroethenes at 298.15K
- Vapor-Liquid Equilibria and Excess Molar Enthalpies for N-Methyl-2-pyrrolidone with Chloroethanes and Chloroethenes
- Bubble Temperature Measurements on Binary Mixtures Formed by Cyclohexane at 94.7 kPa
- Bubble Temperature Measurements on the Binary Mixtures of n-Heptane or Nitrobenzene or Chlorobenzene with Some Chloroethanes and Chloroethylenes at (94.6 to 95.8) kPa
- Bubble-Temperature Measurements on Some Binary Mixtures Formed by Tetrahydrofuran or Amyl Alcohol with Hydrocarbons, Chlorohydrocarbons, or Butanols at (94.6 or 95.8) kPa
- Determination of Henry's Law Constants Using Internal Standards with Benchmark Values
- Volumetric Study for the Binary Nitromethane with Chloroalkane Mixtures at Temperatures in the Range (298.15 to 318.15) K
- Isobaric Vapor Liquid Equilibrium for Dimethylsulfoxide with Chloroethanes and Chloroethenes
- Densities and Excess Molar Volumes of the Binary Mixtures of Cyclohexanone with Chloroalkanes at Temperatures between (288.15 and 318.15) K
- Densities and Excess Molar Volumes of the Binary Mixtures of Cyclopentanone with Chloroalkanes at T = (288.15, 298.15, 308.15, and 318.15) K
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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