- InChI
- InChI=1S/C24H40O4/c1-6-7-18-27-23(25)14-12-10-8-9-11-13-15-24(26)28-22(19-21(4)5)17-16-20(2)3/h21-22H,2,6-15,18-19H2,1,3-5H3
- InChI Key
- LGOIFMFYBFANRW-UHFFFAOYSA-N
- Formula
- C24H40O4
- SMILES
-
C=C(C)C#CC(CC(C)C)OC(=O)CCCCCC
CCC(=O)OCCCC - Molecular Weight1
- 392.57
- 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 | 0.9666 | Relay (... Calculated Property | |
| ΔfG° | -39.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -789.59 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 56.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.65 | kJ/mol | Relay (... Calculated Property |
| IE | 8.77 | eV | Relay (... Calculated Property |
| log10WS | -5.70 | Relay (... Calculated Property | |
| logPoct/wat | 5.988 | Crippen Calculated Property | |
| McVol | 351.000 | ml/mol | McGowan Calculated Property |
| Pc | 972.30 | kPa | Joback Calculated Property |
| Inp | [2549.00; 2549.00] |
|
|
| Inp | 2549.00 | NIST | |
| Inp | 2549.00 | NIST | |
| Tboil | 622.86 | K | Relay (... Calculated Property |
| Tc | 802.23 | K | Relay (... Calculated Property |
| Tfus | 274.39 | K | Relay (... Calculated Property |
| Vc | 1.287 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1136.37; 1227.20] | J/mol×K | [905.78; 1110.14] |
|
| Cp,gas | 1136.37 | J/mol×K | 905.78 | Joback Calculated Property |
| Cp,gas | 1154.62 | J/mol×K | 939.84 | Joback Calculated Property |
| Cp,gas | 1171.58 | J/mol×K | 973.90 | Joback Calculated Property |
| Cp,gas | 1187.28 | J/mol×K | 1007.96 | Joback Calculated Property |
| Cp,gas | 1201.76 | J/mol×K | 1042.02 | Joback Calculated Property |
| Cp,gas | 1215.06 | J/mol×K | 1076.08 | Joback Calculated Property |
| Cp,gas | 1227.20 | J/mol×K | 1110.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, butyl 2,7-dimethylocta-7-en-5-yn-4-yl ester.
Sources
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