- InChI
- InChI=1S/C13H7Cl3O2/c14-9-6-11(16)12(7-10(9)15)18-13(17)8-4-2-1-3-5-8/h1-7H
- InChI Key
- MDWSVFVNPWZKMU-UHFFFAOYSA-N
- Formula
- C13H7Cl3O2
- SMILES
-
O=C(Oc1cc(Cl)c(Cl)cc1Cl)c1cccc
c1 - Molecular Weight1
- 301.55
- 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).
- 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).
- 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 | 0.6461 | Relay (1.0) Calculated Property | |
| ΔfG° | -15.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -220.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.866 | Crippen Calculated Property | |
| McVol | 190.670 | ml/mol | McGowan Calculated Property |
| Pc | 2729.71 | kPa | Joback Calculated Property |
| Inp | [2195.00; 2195.00] |
|
|
| Inp | 2195.00 | NIST | |
| Inp | 2195.00 | NIST | |
| Tboil | 603.43 | K | Relay (1.0) Calculated Property |
| Tc | 910.69 | K | Relay (1.0) Calculated Property |
| Tfus | 351.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.686 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [429.57; 477.58] | J/mol×K | [753.72; 1011.22] |
|
| Cp,gas | 429.57 | J/mol×K | 753.72 | Joback Calculated Property |
| Cp,gas | 440.00 | J/mol×K | 796.64 | Joback Calculated Property |
| Cp,gas | 449.40 | J/mol×K | 839.55 | Joback Calculated Property |
| Cp,gas | 457.83 | J/mol×K | 882.47 | Joback Calculated Property |
| Cp,gas | 465.30 | J/mol×K | 925.39 | Joback Calculated Property |
| Cp,gas | 471.87 | J/mol×K | 968.30 | Joback Calculated Property |
| Cp,gas | 477.58 | J/mol×K | 1011.22 | Joback Calculated Property |
| η | [0.0001318; 0.0007055] | Pa×s | [488.59; 753.72] |
|
| η | 0.0007055 | Pa×s | 488.59 | Joback Calculated Property |
| η | 0.0004751 | Pa×s | 532.78 | Joback Calculated Property |
| η | 0.0003399 | Pa×s | 576.97 | Joback Calculated Property |
| η | 0.0002550 | Pa×s | 621.15 | Joback Calculated Property |
| η | 0.0001988 | Pa×s | 665.34 | Joback Calculated Property |
| η | 0.0001598 | Pa×s | 709.53 | Joback Calculated Property |
| η | 0.0001318 | Pa×s | 753.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2,4,5-trichlorophenyl ester.
Sources
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