- 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
- 30583-33-6
- Other Names
-
- Benzene, trichloromethyl-
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- 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).
- 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 | |
| ΔcH°liquid | -3494.90 ± 1.80 | kJ/mol | NIST |
| ΔfG° | 87.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 12.50 ± 2.30 | kJ/mol | NIST |
| ΔfH°liquid | -45.10 ± 2.00 | kJ/mol | NIST |
| ΔfusH° | 13.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.60 ± 1.20 | kJ/mol | NIST |
| IE | 9.37 | eV | Relay (1.0) Calculated Property |
| 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 |
| Tboil | 487.93 | K | Relay (1.0) Calculated Property |
| Tc | 707.63 | K | Relay (1.0) Calculated Property |
| Tfus | 247.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.429 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [135.48; 288.22] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.31800e+01 | |||
| Coefficient B | 7.36100e-01 | |||
| Coefficient C | -6.21200e-04 | |||
| Coefficient D | 1.96500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 135.48 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 168.19 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 195.51 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 218.08 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 236.50 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 251.40 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 263.40 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 273.12 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 281.19 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 288.22 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0039216; 0.0002516] | Pa×s | [287.25; 521.20] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.16596e+01 | |||
| Coefficient B | 1.75748e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 287.25 | |||
| Temperature range, max. | 521.20 | |||
| η | 0.0039216 | Pa×s | 287.25 | Calculated Property |
| η | 0.0023602 | Pa×s | 313.24 | Calculated Property |
| η | 0.0015355 | Pa×s | 339.24 | Calculated Property |
| η | 0.0010620 | Pa×s | 365.23 | Calculated Property |
| η | 0.0007714 | Pa×s | 391.23 | Calculated Property |
| η | 0.0005831 | Pa×s | 417.22 | Calculated Property |
| η | 0.0004554 | Pa×s | 443.22 | Calculated Property |
| η | 0.0003656 | Pa×s | 469.21 | Calculated Property |
| η | 0.0003003 | Pa×s | 495.20 | Calculated Property |
| η | 0.0002516 | Pa×s | 521.20 | Calculated Property |
Similar Compounds
Find more compounds similar to trichlorotoluene.
Sources
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