- InChI
- InChI=1S/C25H42O4/c1-6-7-14-19-28-24(26)15-12-10-8-9-11-13-16-25(27)29-23(20-22(4)5)18-17-21(2)3/h22-23H,2,6-16,19-20H2,1,3-5H3
- InChI Key
- IPUORNVPIGOMDU-UHFFFAOYSA-N
- Formula
- C25H42O4
- SMILES
-
C=C(C)C#CC(CC(C)C)OC(=O)CCCCCC
CCC(=O)OCCCCC - Molecular Weight1
- 406.60
- 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 | 1.0027 | Relay (... Calculated Property | |
| ΔfG° | -31.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -809.77 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 59.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.93 | kJ/mol | Relay (... Calculated Property |
| IE | 8.79 | eV | Relay (... Calculated Property |
| log10WS | -6.01 | Relay (... Calculated Property | |
| logPoct/wat | 6.378 | Crippen Calculated Property | |
| McVol | 365.090 | ml/mol | McGowan Calculated Property |
| Pc | 916.61 | kPa | Joback Calculated Property |
| Inp | [2640.00; 2640.00] |
|
|
| Inp | 2640.00 | NIST | |
| Inp | 2640.00 | NIST | |
| Tboil | 630.48 | K | Relay (... Calculated Property |
| Tc | 811.55 | K | Relay (... Calculated Property |
| Tfus | 281.28 | K | Relay (... Calculated Property |
| Vc | 1.340 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1198.70; 1290.28] | J/mol×K | [928.66; 1137.11] |
|
| Cp,gas | 1198.70 | J/mol×K | 928.66 | Joback Calculated Property |
| Cp,gas | 1217.25 | J/mol×K | 963.40 | Joback Calculated Property |
| Cp,gas | 1234.43 | J/mol×K | 998.14 | Joback Calculated Property |
| Cp,gas | 1250.29 | J/mol×K | 1032.88 | Joback Calculated Property |
| Cp,gas | 1264.86 | J/mol×K | 1067.63 | Joback Calculated Property |
| Cp,gas | 1278.17 | J/mol×K | 1102.37 | Joback Calculated Property |
| Cp,gas | 1290.28 | J/mol×K | 1137.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 2,7-dimethylocta-7-en-5-yn-4-yl pentyl ester.
Sources
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