- InChI
- InChI=1S/C7H4Cl4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H
- InChI Key
- MFHPYLFZSCSNST-UHFFFAOYSA-N
- Formula
- C7H4Cl4
- SMILES
- Clc1ccccc1C(Cl)(Cl)Cl
- Molecular Weight1
- 229.92
- CAS
- 2136-89-2
- Other Names
-
- 1-Chloro-2-(trichloromethyl)benzene
- 2-Chlorobenzotrichloride
- Toluene, o,«alpha»,«alpha»,«alpha»-tetrachloro-
- o-Chlorobenzotrichloride
- o-Chlorobenzylidyne chloride
- o-Chlorophenyltrichloromethane
- «alpha»,«alpha»,«alpha»,2-Tetrachlorotoluene
- ω : Acentric Factor.
- Cp,gas : Ideal gas 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).
- 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 | 0.3108 | Relay (1.0) Calculated Property | |
| ΔfG° | 65.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -16.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.167 | Crippen Calculated Property | |
| McVol | 134.690 | ml/mol | McGowan Calculated Property |
| Pc | 3448.03 | kPa | Joback Calculated Property |
| Inp | 1413.70 | NIST | |
| Tboil | [535.20; 537.50] | K |
|
| Tboil | 535.20 | K | NIST |
| Tboil | 537.50 | K | NIST |
| Tc | 748.30 | K | Relay (1.0) Calculated Property |
| Tfus | 302.50 ± 0.02 | K | NIST |
| Vc | 0.469 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [233.44; 274.69] | J/mol×K | [537.71; 792.94] |
|
| Cp,gas | 233.44 | J/mol×K | 537.71 | Joback Calculated Property |
| Cp,gas | 242.39 | J/mol×K | 580.25 | Joback Calculated Property |
| Cp,gas | 250.40 | J/mol×K | 622.79 | Joback Calculated Property |
| Cp,gas | 257.55 | J/mol×K | 665.32 | Joback Calculated Property |
| Cp,gas | 263.93 | J/mol×K | 707.86 | Joback Calculated Property |
| Cp,gas | 269.61 | J/mol×K | 750.40 | Joback Calculated Property |
| Cp,gas | 274.69 | J/mol×K | 792.94 | Joback Calculated Property |
| η | [0.0002731; 0.0024728] | Pa×s | [329.69; 537.71] |
|
| η | 0.0024728 | Pa×s | 329.69 | Joback Calculated Property |
| η | 0.0014383 | Pa×s | 364.36 | Joback Calculated Property |
| η | 0.0009192 | Pa×s | 399.03 | Joback Calculated Property |
| η | 0.0006310 | Pa×s | 433.70 | Joback Calculated Property |
| η | 0.0004580 | Pa×s | 468.37 | Joback Calculated Property |
| η | 0.0003475 | Pa×s | 503.04 | Joback Calculated Property |
| η | 0.0002731 | Pa×s | 537.71 | Joback Calculated Property |
| ΔvapH | 55.00 | kJ/mol | 505.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [395.56; 570.36] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.40774e+01 | |||
| Coefficient B | -4.20588e+03 | |||
| Coefficient C | -9.05610e+01 | |||
| Temperature range, min. | 395.56 | |||
| Temperature range, max. | 570.36 | |||
| Pvap | 1.33 | kPa | 395.56 | Calculated Property |
| Pvap | 3.04 | kPa | 414.98 | Calculated Property |
| Pvap | 6.33 | kPa | 434.40 | Calculated Property |
| Pvap | 12.18 | kPa | 453.83 | Calculated Property |
| Pvap | 21.91 | kPa | 473.25 | Calculated Property |
| Pvap | 37.26 | kPa | 492.67 | Calculated Property |
| Pvap | 60.33 | kPa | 512.09 | Calculated Property |
| Pvap | 93.63 | kPa | 531.52 | Calculated Property |
| Pvap | 140.01 | kPa | 550.94 | Calculated Property |
| Pvap | 202.66 | kPa | 570.36 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-chloro-2-(trichloromethyl)-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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