- InChI
- InChI=1S/C14H9Cl3O2/c1-8-2-4-9(5-3-8)14(18)19-13-7-11(16)10(15)6-12(13)17/h2-7H,1H3
- InChI Key
- XHTJGHOZWZWGLE-UHFFFAOYSA-N
- Formula
- C14H9Cl3O2
- SMILES
-
Cc1ccc(C(=O)Oc2cc(Cl)c(Cl)cc2C
l)cc1 - Molecular Weight1
- 315.58
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -16.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -197.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.27 | kJ/mol | Joback Calculated Property |
| log10WS | -6.09 | Crippen Calculated Property | |
| logPoct/wat | 5.174 | Crippen Calculated Property | |
| McVol | 204.760 | ml/mol | McGowan Calculated Property |
| Pc | 2438.65 | kPa | Joback Calculated Property |
| Inp | [2358.00; 2358.00] |
|
|
| Inp | 2358.00 | NIST | |
| Inp | 2358.00 | NIST | |
| Tboil | 781.58 | K | Joback Calculated Property |
| Tc | 1034.18 | K | Joback Calculated Property |
| Tfus | 512.38 | K | Joback Calculated Property |
| Vc | 0.774 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [479.12; 529.55] | J/mol×K | [781.58; 1034.18] |
|
| Cp,gas | 479.12 | J/mol×K | 781.58 | Joback Calculated Property |
| Cp,gas | 490.00 | J/mol×K | 823.68 | Joback Calculated Property |
| Cp,gas | 499.85 | J/mol×K | 865.78 | Joback Calculated Property |
| Cp,gas | 508.69 | J/mol×K | 907.88 | Joback Calculated Property |
| Cp,gas | 516.57 | J/mol×K | 949.98 | Joback Calculated Property |
| Cp,gas | 523.52 | J/mol×K | 992.08 | Joback Calculated Property |
| Cp,gas | 529.55 | J/mol×K | 1034.18 | Joback Calculated Property |
| η | [0.0001175; 0.0005792] | Pa×s | [512.38; 781.58] |
|
| η | 0.0005792 | Pa×s | 512.38 | Joback Calculated Property |
| η | 0.0003990 | Pa×s | 557.25 | Joback Calculated Property |
| η | 0.0002905 | Pa×s | 602.11 | Joback Calculated Property |
| η | 0.0002210 | Pa×s | 646.98 | Joback Calculated Property |
| η | 0.0001742 | Pa×s | 691.85 | Joback Calculated Property |
| η | 0.0001414 | Pa×s | 736.71 | Joback Calculated Property |
| η | 0.0001175 | Pa×s | 781.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methylbenzoic acid, 2,4,5-trichlorophenyl ester.
Sources
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