- InChI
- InChI=1S/C23H40O4/c1-5-7-8-13-16-21(6-2)27-23(25)18-15-12-10-9-11-14-17-22(24)26-19-20(3)4/h20-21H,5-7,9-12,14-19H2,1-4H3
- InChI Key
- GGWCENHABBSKGB-UHFFFAOYSA-N
- Formula
- C23H40O4
- SMILES
-
CCCC#CCC(CC)OC(=O)CCCCCCCCC(=O
)OCC(C)C - Molecular Weight1
- 380.56
- 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 | 0.9658 | Relay (... Calculated Property | |
| ΔfG° | -127.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -889.18 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 56.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.91 | kJ/mol | Relay (... Calculated Property |
| IE | 9.04 | eV | Relay (... Calculated Property |
| log10WS | -5.37 | Relay (... Calculated Property | |
| logPoct/wat | 5.822 | Crippen Calculated Property | |
| McVol | 341.210 | ml/mol | McGowan Calculated Property |
| Pc | 1002.71 | kPa | Joback Calculated Property |
| Inp | [2555.00; 2555.00] |
|
|
| Inp | 2555.00 | NIST | |
| Inp | 2555.00 | NIST | |
| Tboil | 624.28 | K | Relay (... Calculated Property |
| Tc | 804.53 | K | Relay (... Calculated Property |
| Tfus | 272.89 | K | Relay (... Calculated Property |
| Vc | 1.262 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1103.44; 1195.24] | J/mol×K | [886.34; 1086.67] |
|
| Cp,gas | 1103.44 | J/mol×K | 886.34 | Joback Calculated Property |
| Cp,gas | 1121.84 | J/mol×K | 919.73 | Joback Calculated Property |
| Cp,gas | 1138.97 | J/mol×K | 953.12 | Joback Calculated Property |
| Cp,gas | 1154.84 | J/mol×K | 986.50 | Joback Calculated Property |
| Cp,gas | 1169.50 | J/mol×K | 1019.89 | Joback Calculated Property |
| Cp,gas | 1182.95 | J/mol×K | 1053.28 | Joback Calculated Property |
| Cp,gas | 1195.24 | J/mol×K | 1086.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, isobutyl non-5-yn-3-yl ester.
Sources
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