- InChI
- InChI=1S/C20H31ClO2/c1-2-3-4-5-6-7-8-9-10-11-14-17-23-20(22)18-15-12-13-16-19(18)21/h12-13,15-16H,2-11,14,17H2,1H3
- InChI Key
- RIBWAZGMFLYEHT-UHFFFAOYSA-N
- Formula
- C20H31ClO2
- SMILES
- CCCCCCCCCCCCCOC(=O)c1ccccc1Cl
- 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° | -25.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -491.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.59 | kJ/mol | Joback Calculated Property |
| log10WS | -7.42 | Crippen Calculated Property | |
| logPoct/wat | 6.808 | Crippen Calculated Property | |
| McVol | 288.580 | ml/mol | McGowan Calculated Property |
| Pc | 1263.75 | kPa | Joback Calculated Property |
| Inp | [2489.80; 2489.80] |
|
|
| Inp | 2489.80 | NIST | |
| Inp | 2489.80 | NIST | |
| Tboil | 802.38 | K | Joback Calculated Property |
| Tc | 998.48 | K | Joback Calculated Property |
| Tfus | 456.18 | K | Joback Calculated Property |
| Vc | 1.121 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [857.11; 944.82] | J/mol×K | [802.38; 998.48] |
|
| Cp,gas | 857.11 | J/mol×K | 802.38 | Joback Calculated Property |
| Cp,gas | 874.21 | J/mol×K | 835.06 | Joback Calculated Property |
| Cp,gas | 890.26 | J/mol×K | 867.75 | Joback Calculated Property |
| Cp,gas | 905.32 | J/mol×K | 900.43 | Joback Calculated Property |
| Cp,gas | 919.41 | J/mol×K | 933.11 | Joback Calculated Property |
| Cp,gas | 932.56 | J/mol×K | 965.79 | Joback Calculated Property |
| Cp,gas | 944.82 | J/mol×K | 998.48 | Joback Calculated Property |
| η | [0.0000655; 0.0008547] | Pa×s | [456.18; 802.38] |
|
| η | 0.0008547 | Pa×s | 456.18 | Joback Calculated Property |
| η | 0.0004381 | Pa×s | 513.88 | Joback Calculated Property |
| η | 0.0002570 | Pa×s | 571.58 | Joback Calculated Property |
| η | 0.0001662 | Pa×s | 629.28 | Joback Calculated Property |
| η | 0.0001157 | Pa×s | 686.98 | Joback Calculated Property |
| η | 0.0000852 | Pa×s | 744.68 | Joback Calculated Property |
| η | 0.0000655 | Pa×s | 802.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chlorobenzoic acid, tridecyl ester.
Sources
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