- InChI
- InChI=1S/C18H35ClO2/c1-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21-2/h17H,3-16H2,1-2H3
- InChI Key
- SZPIGZUHQJTGEY-UHFFFAOYSA-N
- Formula
- C18H35ClO2
- SMILES
- CCCCCC(Cl)CCCCCCCCCCC(=O)OC
- Molecular Weight1
- 318.92
- ω : Acentric Factor.
- 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).
- 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.
- I : 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 | 0.8792 | Relay (... Calculated Property | |
| ΔfG° | -147.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -759.71 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 45.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.65 | kJ/mol | Relay (... Calculated Property |
| IE | 9.95 | eV | Relay (... Calculated Property |
| log10WS | -6.45 | Relay (... Calculated Property | |
| logPoct/wat | 6.248 | Crippen Calculated Property | |
| McVol | 284.160 | ml/mol | McGowan Calculated Property |
| Pc | 1165.63 | kPa | Joback Calculated Property |
| Inp | 2221.00 | NIST | |
| I | 2677.00 | NIST | |
| Tboil | 591.89 | K | Relay (... Calculated Property |
| Tc | 785.53 | K | Relay (... Calculated Property |
| Tfus | 292.81 | K | Relay (... Calculated Property |
| Vc | 1.074 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [825.77; 922.05] | J/mol×K | [724.52; 899.87] | 
|
| Cp,gas | 825.77 | J/mol×K | 724.52 | Joback Calculated Property |
| Cp,gas | 843.94 | J/mol×K | 753.74 | Joback Calculated Property |
| Cp,gas | 861.23 | J/mol×K | 782.97 | Joback Calculated Property |
| Cp,gas | 877.67 | J/mol×K | 812.19 | Joback Calculated Property |
| Cp,gas | 893.27 | J/mol×K | 841.42 | Joback Calculated Property |
| Cp,gas | 908.06 | J/mol×K | 870.64 | Joback Calculated Property |
| Cp,gas | 922.05 | J/mol×K | 899.87 | Joback Calculated Property |
| η | [0.0000780; 0.0019853] | Pa×s | [379.70; 724.52] |
|
| η | 0.0019853 | Pa×s | 379.70 | Joback Calculated Property |
| η | 0.0008119 | Pa×s | 437.17 | Joback Calculated Property |
| η | 0.0004087 | Pa×s | 494.64 | Joback Calculated Property |
| η | 0.0002373 | Pa×s | 552.11 | Joback Calculated Property |
| η | 0.0001527 | Pa×s | 609.58 | Joback Calculated Property |
| η | 0.0001060 | Pa×s | 667.05 | Joback Calculated Property |
| η | 0.0000780 | Pa×s | 724.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 12-Chloroheptadecanoic acid, methyl ester.
Sources
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