- InChI
- InChI=1S/C14H11ClO2/c1-10-4-2-7-13(8-10)17-14(16)11-5-3-6-12(15)9-11/h2-9H,1H3
- InChI Key
- XJYMREBPKIWXCH-UHFFFAOYSA-N
- Formula
- C14H11ClO2
- SMILES
- Cc1cccc(OC(=O)c2cccc(Cl)c2)c1
- Molecular Weight1
- 246.69
- 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° | 26.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -142.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.17 | kJ/mol | Joback Calculated Property |
| log10WS | -4.72 | Crippen Calculated Property | |
| logPoct/wat | 3.868 | Crippen Calculated Property | |
| McVol | 180.280 | ml/mol | McGowan Calculated Property |
| Pc | 2709.85 | kPa | Joback Calculated Property |
| Inp | [1989.00; 1989.00] |
|
|
| Inp | 1989.00 | NIST | |
| Inp | 1989.00 | NIST | |
| Tboil | 696.76 | K | Joback Calculated Property |
| Tc | 943.81 | K | Joback Calculated Property |
| Tfus | 427.50 | K | Joback Calculated Property |
| Vc | 0.676 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [438.48; 504.22] | J/mol×K | [696.76; 943.81] |
|
| Cp,gas | 438.48 | J/mol×K | 696.76 | Joback Calculated Property |
| Cp,gas | 452.11 | J/mol×K | 737.94 | Joback Calculated Property |
| Cp,gas | 464.61 | J/mol×K | 779.11 | Joback Calculated Property |
| Cp,gas | 476.03 | J/mol×K | 820.29 | Joback Calculated Property |
| Cp,gas | 486.41 | J/mol×K | 861.46 | Joback Calculated Property |
| Cp,gas | 495.79 | J/mol×K | 902.64 | Joback Calculated Property |
| Cp,gas | 504.22 | J/mol×K | 943.81 | Joback Calculated Property |
| η | [0.0001405; 0.0009660] | Pa×s | [427.50; 696.76] |
|
| η | 0.0009660 | Pa×s | 427.50 | Joback Calculated Property |
| η | 0.0006014 | Pa×s | 472.38 | Joback Calculated Property |
| η | 0.0004065 | Pa×s | 517.25 | Joback Calculated Property |
| η | 0.0002925 | Pa×s | 562.13 | Joback Calculated Property |
| η | 0.0002210 | Pa×s | 607.01 | Joback Calculated Property |
| η | 0.0001735 | Pa×s | 651.88 | Joback Calculated Property |
| η | 0.0001405 | Pa×s | 696.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chlorobenzoic acid, 3-methylphenyl ester.
Sources
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