- InChI
- InChI=1S/C20H27ClO2/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,2-10,17H2,1H3
- InChI Key
- RDJRHBFOTCUIHH-UHFFFAOYSA-N
- Formula
- C20H27ClO2
- SMILES
- CCCCCCCCCCC#CCOC(=O)c1ccccc1Cl
- Molecular Weight1
- 334.88
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8367 | Relay (... Calculated Property | |
| ΔfG° | 177.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -303.67 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 51.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.64 | kJ/mol | Relay (... Calculated Property |
| IE | 8.89 | eV | Relay (... Calculated Property |
| log10WS | -7.15 | Relay (... Calculated Property | |
| logPoct/wat | 6.031 | Crippen Calculated Property | |
| McVol | 279.980 | ml/mol | McGowan Calculated Property |
| Pc | 1420.78 | kPa | Joback Calculated Property |
| Inp | 2434.00 | NIST | |
| Tboil | 619.95 | K | Relay (... Calculated Property |
| Tc | 855.41 | K | Relay (... Calculated Property |
| Tfus | 296.25 | K | Relay (... Calculated Property |
| Vc | 1.016 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [807.37; 891.06] | J/mol×K | [811.38; 1021.00] | 
|
| Cp,gas | 807.37 | J/mol×K | 811.38 | Joback Calculated Property |
| Cp,gas | 823.88 | J/mol×K | 846.32 | Joback Calculated Property |
| Cp,gas | 839.32 | J/mol×K | 881.25 | Joback Calculated Property |
| Cp,gas | 853.72 | J/mol×K | 916.19 | Joback Calculated Property |
| Cp,gas | 867.12 | J/mol×K | 951.12 | Joback Calculated Property |
| Cp,gas | 879.55 | J/mol×K | 986.06 | Joback Calculated Property |
| Cp,gas | 891.06 | J/mol×K | 1021.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chlorobenzoic acid, tridec-2-ynyl ester.
Sources
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