- InChI
- InChI=1S/C8H5Cl3O2/c1-13-8(12)6-4(9)2-3-5(10)7(6)11/h2-3H,1H3
- InChI Key
- OAWDHDKEHFFNQQ-UHFFFAOYSA-N
- Formula
- C8H5Cl3O2
- SMILES
- COC(=O)c1c(Cl)ccc(Cl)c1Cl
- Molecular Weight1
- 239.48
- CAS
- 2694-06-6
- Other Names
-
- 2,3,6-Trichlorobenzoic acid methyl ester
- Methyl benzoate, 2,3,6-trichloro
- 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).
- 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° | -169.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -298.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.97 | kJ/mol | Joback Calculated Property |
| log10WS | -3.77 | Crippen Calculated Property | |
| logPoct/wat | 3.433 | Crippen Calculated Property | |
| McVol | 143.980 | ml/mol | McGowan Calculated Property |
| Pc | 3210.04 | kPa | Joback Calculated Property |
| Tboil | 612.64 | K | Joback Calculated Property |
| Tc | 848.96 | K | Joback Calculated Property |
| Tfus | 405.82 | K | Joback Calculated Property |
| Vc | 0.546 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [277.62; 320.04] | J/mol×K | [612.64; 848.96] | 
|
| Cp,gas | 277.62 | J/mol×K | 612.64 | Joback Calculated Property |
| Cp,gas | 286.07 | J/mol×K | 652.03 | Joback Calculated Property |
| Cp,gas | 293.97 | J/mol×K | 691.41 | Joback Calculated Property |
| Cp,gas | 301.31 | J/mol×K | 730.80 | Joback Calculated Property |
| Cp,gas | 308.11 | J/mol×K | 770.19 | Joback Calculated Property |
| Cp,gas | 314.35 | J/mol×K | 809.58 | Joback Calculated Property |
| Cp,gas | 320.04 | J/mol×K | 848.96 | Joback Calculated Property |
| η | [0.0002256; 0.0010302] | Pa×s | [405.82; 612.64] |
|
| η | 0.0010302 | Pa×s | 405.82 | Joback Calculated Property |
| η | 0.0007244 | Pa×s | 440.29 | Joback Calculated Property |
| η | 0.0005361 | Pa×s | 474.76 | Joback Calculated Property |
| η | 0.0004132 | Pa×s | 509.23 | Joback Calculated Property |
| η | 0.0003292 | Pa×s | 543.70 | Joback Calculated Property |
| η | 0.0002695 | Pa×s | 578.17 | Joback Calculated Property |
| η | 0.0002256 | Pa×s | 612.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2,3,6-trichloro-, methyl ester.
Sources
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