- InChI
- InChI=1S/C15H13ClO2/c1-10-6-5-9-14(11(10)2)18-15(17)12-7-3-4-8-13(12)16/h3-9H,1-2H3
- InChI Key
- QPAIHWVNOMOVCU-UHFFFAOYSA-N
- Formula
- C15H13ClO2
- SMILES
- Cc1cccc(OC(=O)c2ccccc2Cl)c1C
- Molecular Weight1
- 260.72
- 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° | 25.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -174.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.06 | kJ/mol | Joback Calculated Property |
| log10WS | -5.19 | Crippen Calculated Property | |
| logPoct/wat | 4.176 | Crippen Calculated Property | |
| McVol | 194.370 | ml/mol | McGowan Calculated Property |
| Pc | 2421.88 | kPa | Joback Calculated Property |
| Inp | 2103.00 | NIST | |
| Tboil | 724.62 | K | Joback Calculated Property |
| Tc | 967.25 | K | Joback Calculated Property |
| Tfus | 451.29 | K | Joback Calculated Property |
| Vc | 0.733 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [488.64; 556.42] | J/mol×K | [724.62; 967.25] | 
|
| Cp,gas | 488.64 | J/mol×K | 724.62 | Joback Calculated Property |
| Cp,gas | 502.61 | J/mol×K | 765.06 | Joback Calculated Property |
| Cp,gas | 515.45 | J/mol×K | 805.50 | Joback Calculated Property |
| Cp,gas | 527.22 | J/mol×K | 845.94 | Joback Calculated Property |
| Cp,gas | 537.95 | J/mol×K | 886.37 | Joback Calculated Property |
| Cp,gas | 547.67 | J/mol×K | 926.81 | Joback Calculated Property |
| Cp,gas | 556.42 | J/mol×K | 967.25 | Joback Calculated Property |
| η | [0.0001261; 0.0007771] | Pa×s | [451.29; 724.62] |
|
| η | 0.0007771 | Pa×s | 451.29 | Joback Calculated Property |
| η | 0.0004995 | Pa×s | 496.85 | Joback Calculated Property |
| η | 0.0003458 | Pa×s | 542.40 | Joback Calculated Property |
| η | 0.0002534 | Pa×s | 587.96 | Joback Calculated Property |
| η | 0.0001942 | Pa×s | 633.51 | Joback Calculated Property |
| η | 0.0001543 | Pa×s | 679.07 | Joback Calculated Property |
| η | 0.0001261 | Pa×s | 724.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chlorobenzoic acid, 2,3-dimethylphenyl ester.
Sources
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