- InChI
- InChI=1S/C7H5Cl3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
- InChI Key
- XEMRAKSQROQPBR-UHFFFAOYSA-N
- Formula
- C7H5Cl3
- SMILES
- ClC(Cl)(Cl)c1ccccc1
- Molecular Weight1
- 195.47
- CAS
- 98-07-7
- Other Names
-
- (trichloromethyl)benzene
- .alpha.,.alpha.,.alpha.-trichlorotoluene
- 1-(Trichloromethyl)benzene
- Benzenyl chloride
- Benzenyl trichloride
- Benzoic trichloride
- Benzyl trichloride
- Benzylidyne chloride
- Chlorure de benzenyle
- NSC 14663
- Phenylchloroform
- Phenyltrichloromethane
- Rcra waste number U023
- Toluene trichloride
- Toluene, «alpha»,«alpha»,«alpha»-trichloro-
- Trichloormethylbenzeen
- Trichlormethylbenzol
- Trichlorophenylmethane
- Trichlorotoluene
- Triclorometilbenzene
- UN 2226
- benzotrichloride
- «alpha»,«alpha»,«alpha»-Trichloromethylbenzene
- «alpha»,«alpha»,«alpha»-Trichlorotoluene
- «omega»,«omega»,«omega»-Trichlorotoluene
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (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 | 0.2678 | Relay (1.0) Calculated Property | |
| ΔfG° | 87.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 14.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.60 | eV | NIST |
| log10WS | -3.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.513 | Crippen Calculated Property | |
| McVol | 122.450 | ml/mol | McGowan Calculated Property |
| Pc | 3668.65 | kPa | Joback Calculated Property |
| Inp | [1187.40; 1211.00] |
|
|
| Inp | 1187.40 | NIST | |
| Inp | 1200.00 | NIST | |
| Inp | 1211.00 | NIST | |
| Inp | 1211.00 | NIST | |
| Tboil | 493.80 | K | NIST |
| Tc | 707.86 | K | Relay (1.0) Calculated Property |
| Tfus | [235.99; 256.20] | K |
|
| Tfus | 235.99 ± 0.10 | K | NIST |
| Tfus | 256.20 ± 0.60 | K | NIST |
| Vc | 0.430 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [212.89; 261.58] | J/mol×K | [495.30; 744.27] |
|
| Cp,gas | 212.89 | J/mol×K | 495.30 | Joback Calculated Property |
| Cp,gas | 223.35 | J/mol×K | 536.79 | Joback Calculated Property |
| Cp,gas | 232.76 | J/mol×K | 578.29 | Joback Calculated Property |
| Cp,gas | 241.20 | J/mol×K | 619.78 | Joback Calculated Property |
| Cp,gas | 248.77 | J/mol×K | 661.28 | Joback Calculated Property |
| Cp,gas | 255.53 | J/mol×K | 702.77 | Joback Calculated Property |
| Cp,gas | 261.58 | J/mol×K | 744.27 | Joback Calculated Property |
| Cp,liquid | [209.11; 230.89] | J/mol×K | [260.64; 349.98] |
|
| Cp,liquid | 209.61 | J/mol×K | 260.64 | Heat capacities of selected chlorohydrocarbons |
| Cp,liquid | 209.36 | J/mol×K | 260.64 | Heat capacities of selected chlorohydrocarbons |
| Cp,liquid | 209.11 | J/mol×K | 260.64 | Heat capacities of selected chlorohydrocarbons |
| Cp,liquid | 210.94 | J/mol×K | 265.75 | Heat capacities of selected chlorohydrocarbons |
| Cp,liquid | 210.44 | J/mol×K | 265.75 | Heat capacities of selected chlorohydrocarbons |
| Cp,liquid | 210.27 | J/mol×K | 265.75 | Heat capacities of selected chlorohydrocarbons |
| Cp,liquid | 211.44 | J/mol×K | 270.85 | Heat capacities of selected chlorohydrocarbons |
| Cp,liquid | 211.35 | J/mol×K | 270.85 | Heat capacities of selected chlorohydrocarbons |
| Cp,liquid | 211.19 | J/mol×K | 270.85 | Heat capacities of selected chlorohydrocarbons |
| Cp,liquid | 212.77 | J/mol×K | 275.96 | Heat capacities of selected chlorohydrocarbons |
| Cp,liquid | 212.52 | J/mol×K | 275.96 | Heat capacities of selected chlorohydrocarbons |
| Cp,liquid | 212.52 | J/mol×K | 275.96 | Heat capacities of selected chlorohydrocarbons |
| Cp,liquid | 214.18 | J/mol×K | 281.06 | Heat capacities of selected chlorohydrocarbons |
| Cp,liquid | 213.93 | J/mol×K | 281.06 | Heat capacities of selected chlorohydrocarbons |
| Cp,liquid | 213.93 | J/mol×K | 281.06 | Heat capacities of selected chlorohydrocarbons |
| Cp,liquid | 215.59 | J/mol×K | 286.17 | Heat capacities of selected chlorohydrocarbons |
| Cp,liquid | 215.59 | J/mol×K | 286.17 | Heat capacities of selected chlorohydrocarbons |
| Cp,liquid | 215.34 | J/mol×K | 286.17 | Heat capacities of selected chlorohydrocarbons |
| Cp,liquid | 217.09 | J/mol×K | 291.27 | Heat capacities of selected chlorohydrocarbons |
| Cp,liquid | 217.01 | J/mol×K | 291.27 | Heat capacities of selected chlorohydrocarbons |
| Cp,liquid | 216.92 | J/mol×K | 291.27 | Heat capacities of selected chlorohydrocarbons |
| Cp,liquid | 217.76 | J/mol×K | 296.38 | Heat capacities of selected chlorohydrocarbons |
| Cp,liquid | 217.92 | J/mol×K | 296.38 | Heat capacities of selected chlorohydrocarbons |
| Cp,liquid | 218.01 | J/mol×K | 296.38 | Heat capacities of selected chlorohydrocarbons |
| Cp,liquid | 219.34 | J/mol×K | 301.48 | Heat capacities of selected chlorohydrocarbons |
| Cp,liquid | 219.17 | J/mol×K | 301.48 | Heat capacities of selected chlorohydrocarbons |
| Cp,liquid | 219.25 | J/mol×K | 301.48 | Heat capacities of selected chlorohydrocarbons |
| Cp,liquid | 220.75 | J/mol×K | 309.14 | Heat capacities of selected chlorohydrocarbons |
| Cp,liquid | 223.83 | J/mol×K | 319.35 | Heat capacities of selected chlorohydrocarbons |
| Cp,liquid | 226.49 | J/mol×K | 329.56 | Heat capacities of selected chlorohydrocarbons |
| Cp,liquid | 228.56 | J/mol×K | 339.77 | Heat capacities of selected chlorohydrocarbons |
| Cp,liquid | 230.89 | J/mol×K | 349.98 | Heat capacities of selected chlorohydrocarbons |
| η | [0.0003001; 0.0039216] | Pa×s | [287.25; 495.30] |
|
| η | 0.0039216 | Pa×s | 287.25 | Joback Calculated Property |
| η | 0.0020289 | Pa×s | 321.93 | Joback Calculated Property |
| η | 0.0011932 | Pa×s | 356.60 | Joback Calculated Property |
| η | 0.0007709 | Pa×s | 391.27 | Joback Calculated Property |
| η | 0.0005348 | Pa×s | 425.95 | Joback Calculated Property |
| η | 0.0003920 | Pa×s | 460.62 | Joback Calculated Property |
| η | 0.0003001 | Pa×s | 495.30 | Joback Calculated Property |
| ΔfusH | [10.60; 13.95] | kJ/mol | [236.00; 270.00] |
|
| ΔfusH | 13.95 | kJ/mol | 236.00 | NIST |
| ΔfusH | 10.60 | kJ/mol | 270.00 | NIST |
| ΔvapH | 52.00 | kJ/mol | 402.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [354.32; 543.71] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.26828e+01 | |||
| Coefficient B | -3.44439e+03 | |||
| Coefficient C | -7.64390e+01 | |||
| Temperature range, min. | 354.32 | |||
| Temperature range, max. | 543.71 | |||
| Pvap | 1.33 | kPa | 354.32 | Calculated Property |
| Pvap | 3.19 | kPa | 375.36 | Calculated Property |
| Pvap | 6.81 | kPa | 396.41 | Calculated Property |
| Pvap | 13.23 | kPa | 417.45 | Calculated Property |
| Pvap | 23.79 | kPa | 438.49 | Calculated Property |
| Pvap | 40.12 | kPa | 459.54 | Calculated Property |
| Pvap | 64.07 | kPa | 480.58 | Calculated Property |
| Pvap | 97.69 | kPa | 501.62 | Calculated Property |
| Pvap | 143.15 | kPa | 522.67 | Calculated Property |
| Pvap | 202.65 | kPa | 543.71 | Calculated Property |
| Pvap | [6.44e-03; 3076.60] | kPa | [268.40; 737.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 6.89647e+00 | |||
| Coefficient B | -5.52600e+03 | |||
| Coefficient C | 1.59038e+00 | |||
| Coefficient D | -3.43831e-06 | |||
| Temperature range, min. | 268.40 | |||
| Temperature range, max. | 737.00 | |||
| Pvap | 6.44e-03 | kPa | 268.40 | Calculated Property |
| Pvap | 0.22 | kPa | 320.47 | Calculated Property |
| Pvap | 2.72 | kPa | 372.53 | Calculated Property |
| Pvap | 17.92 | kPa | 424.60 | Calculated Property |
| Pvap | 75.93 | kPa | 476.67 | Calculated Property |
| Pvap | 234.24 | kPa | 528.73 | Calculated Property |
| Pvap | 569.08 | kPa | 580.80 | Calculated Property |
| Pvap | 1148.32 | kPa | 632.87 | Calculated Property |
| Pvap | 1997.48 | kPa | 684.93 | Calculated Property |
| Pvap | 3076.60 | kPa | 737.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (trichloromethyl)-.
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Heat capacities of selected chlorohydrocarbons
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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