- InChI
- InChI=1S/C20H31ClO2/c1-3-5-6-7-8-9-10-11-14-17(4-2)23-20(22)18-15-12-13-16-19(18)21/h12-13,15-17H,3-11,14H2,1-2H3
- InChI Key
- STPUHZZTPBQLLR-UHFFFAOYSA-N
- Formula
- C20H31ClO2
- SMILES
-
CCCCCCCCCCC(CC)OC(=O)c1ccccc1C
l - Molecular Weight1
- 338.91
- 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° | -27.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -496.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.20 | kJ/mol | Joback Calculated Property |
| log10WS | -7.53 | Crippen Calculated Property | |
| logPoct/wat | 6.806 | Crippen Calculated Property | |
| McVol | 288.580 | ml/mol | McGowan Calculated Property |
| Pc | 1270.97 | kPa | Joback Calculated Property |
| Inp | [2315.00; 2315.00] |
|
|
| Inp | 2315.00 | NIST | |
| Inp | 2315.00 | NIST | |
| Tboil | 801.94 | K | Joback Calculated Property |
| Tc | 1000.08 | K | Joback Calculated Property |
| Tfus | 441.18 | K | Joback Calculated Property |
| Vc | 1.115 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [857.62; 945.94] | J/mol×K | [801.94; 1000.08] |
|
| Cp,gas | 857.62 | J/mol×K | 801.94 | Joback Calculated Property |
| Cp,gas | 874.89 | J/mol×K | 834.96 | Joback Calculated Property |
| Cp,gas | 891.10 | J/mol×K | 867.99 | Joback Calculated Property |
| Cp,gas | 906.27 | J/mol×K | 901.01 | Joback Calculated Property |
| Cp,gas | 920.44 | J/mol×K | 934.04 | Joback Calculated Property |
| Cp,gas | 933.65 | J/mol×K | 967.06 | Joback Calculated Property |
| Cp,gas | 945.94 | J/mol×K | 1000.08 | Joback Calculated Property |
| η | [0.0000602; 0.0009971] | Pa×s | [441.18; 801.94] |
|
| η | 0.0009971 | Pa×s | 441.18 | Joback Calculated Property |
| η | 0.0004717 | Pa×s | 501.31 | Joback Calculated Property |
| η | 0.0002620 | Pa×s | 561.43 | Joback Calculated Property |
| η | 0.0001630 | Pa×s | 621.56 | Joback Calculated Property |
| η | 0.0001103 | Pa×s | 681.69 | Joback Calculated Property |
| η | 0.0000795 | Pa×s | 741.81 | Joback Calculated Property |
| η | 0.0000602 | Pa×s | 801.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chlorobenzoic acid, 3-tridecyl ester.
Sources
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