- InChI
- InChI=1S/C18H31ClO2/c1-2-3-4-5-6-7-8-9-10-11-14-17-21-18(20)15-12-13-16-19/h2-10,12-13,15-17H2,1H3
- InChI Key
- IWBWGAOOVXOGLS-UHFFFAOYSA-N
- Formula
- C18H31ClO2
- SMILES
- CCCCCCCCCCC#CCOC(=O)CCCCCl
- Molecular Weight1
- 314.89
- 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).
- 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° | 57.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -403.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.36 | kJ/mol | Joback Calculated Property |
| log10WS | -6.17 | Crippen Calculated Property | |
| logPoct/wat | 5.473 | Crippen Calculated Property | |
| McVol | 275.560 | ml/mol | McGowan Calculated Property |
| Pc | 1296.73 | kPa | Joback Calculated Property |
| Inp | [2284.70; 2284.70] |
|
|
| Inp | 2284.70 | NIST | |
| Inp | 2284.70 | NIST | |
| Tboil | 733.96 | K | Joback Calculated Property |
| Tc | 918.92 | K | Joback Calculated Property |
| Tfus | 500.80 | K | Joback Calculated Property |
| Vc | 1.079 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [779.93; 871.49] | J/mol×K | [733.96; 918.92] |
|
| Cp,gas | 779.93 | J/mol×K | 733.96 | Joback Calculated Property |
| Cp,gas | 797.31 | J/mol×K | 764.79 | Joback Calculated Property |
| Cp,gas | 813.81 | J/mol×K | 795.61 | Joback Calculated Property |
| Cp,gas | 829.46 | J/mol×K | 826.44 | Joback Calculated Property |
| Cp,gas | 844.27 | J/mol×K | 857.27 | Joback Calculated Property |
| Cp,gas | 858.28 | J/mol×K | 888.10 | Joback Calculated Property |
| Cp,gas | 871.49 | J/mol×K | 918.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Chlorovaleric acid, tridec-2-ynyl ester.
Sources
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