- InChI
- InChI=1S/C23H40O4/c1-6-7-14-21(17-19(2)3)27-23(25)16-13-11-9-8-10-12-15-22(24)26-18-20(4)5/h19-21H,6,8-13,15-18H2,1-5H3
- InChI Key
- FTJFBSKXDUBRQU-UHFFFAOYSA-N
- Formula
- C23H40O4
- SMILES
-
CCC#CC(CC(C)C)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 | 0.9303 | Relay (... Calculated Property | |
| ΔfG° | -129.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -880.82 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 53.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.56 | kJ/mol | Relay (... Calculated Property |
| IE | 9.15 | eV | Relay (... Calculated Property |
| log10WS | -5.66 | Relay (... Calculated Property | |
| logPoct/wat | 5.678 | Crippen Calculated Property | |
| McVol | 341.210 | ml/mol | McGowan Calculated Property |
| Pc | 1007.81 | kPa | Joback Calculated Property |
| Inp | [2472.00; 2472.00] |
|
|
| Inp | 2472.00 | NIST | |
| Inp | 2472.00 | NIST | |
| Tboil | 612.54 | K | Relay (... Calculated Property |
| Tc | 799.39 | K | Relay (... Calculated Property |
| Tfus | 272.49 | K | Relay (... Calculated Property |
| Vc | 1.255 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1103.90; 1195.64] | J/mol×K | [885.90; 1086.86] |
|
| Cp,gas | 1103.90 | J/mol×K | 885.90 | Joback Calculated Property |
| Cp,gas | 1122.33 | J/mol×K | 919.39 | Joback Calculated Property |
| Cp,gas | 1139.47 | J/mol×K | 952.89 | Joback Calculated Property |
| Cp,gas | 1155.35 | J/mol×K | 986.38 | Joback Calculated Property |
| Cp,gas | 1169.99 | J/mol×K | 1019.87 | Joback Calculated Property |
| Cp,gas | 1183.41 | J/mol×K | 1053.37 | Joback Calculated Property |
| Cp,gas | 1195.64 | J/mol×K | 1086.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, isobutyl 2-methyloct-5-yn-4-yl ester.
Sources
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