- InChI
- InChI=1S/C23H40O4/c1-4-7-8-13-16-20-26-22(24)18-14-11-9-10-12-15-19-23(25)27-21(6-3)17-5-2/h21H,4,6-16,18-20H2,1-3H3
- InChI Key
- DRIWMITZMYMGAW-UHFFFAOYSA-N
- Formula
- C23H40O4
- SMILES
-
CC#CC(CC)OC(=O)CCCCCCCCC(=O)OC
CCCCCC - Molecular Weight1
- 380.56
- 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° | -124.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -740.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.87 | kJ/mol | Joback Calculated Property |
| log10WS | -7.08 | Crippen Calculated Property | |
| logPoct/wat | 5.966 | Crippen Calculated Property | |
| McVol | 341.210 | ml/mol | McGowan Calculated Property |
| Pc | 997.65 | kPa | Joback Calculated Property |
| Inp | 2628.00 | NIST | |
| Tboil | 886.78 | K | Joback Calculated Property |
| Tc | 1086.62 | K | Joback Calculated Property |
| Tfus | 584.39 | K | Joback Calculated Property |
| Vc | 1.327 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1102.99; 1194.89] | J/mol×K | [886.78; 1086.62] | 
|
| Cp,gas | 1102.99 | J/mol×K | 886.78 | Joback Calculated Property |
| Cp,gas | 1121.36 | J/mol×K | 920.09 | Joback Calculated Property |
| Cp,gas | 1138.48 | J/mol×K | 953.39 | Joback Calculated Property |
| Cp,gas | 1154.37 | J/mol×K | 986.70 | Joback Calculated Property |
| Cp,gas | 1169.05 | J/mol×K | 1020.00 | Joback Calculated Property |
| Cp,gas | 1182.55 | J/mol×K | 1053.31 | Joback Calculated Property |
| Cp,gas | 1194.89 | J/mol×K | 1086.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, heptyl hex-4-yn-3-yl ester.
Sources
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