- InChI
- InChI=1S/C22H38O4/c1-4-7-8-13-16-20(6-3)26-22(24)18-15-12-10-9-11-14-17-21(23)25-19-5-2/h20H,4-7,9-12,14-19H2,1-3H3
- InChI Key
- PBFNVONPTFXNMQ-UHFFFAOYSA-N
- Formula
- C22H38O4
- SMILES
-
CCCC#CCC(CC)OC(=O)CCCCCCCCC(=O
)OCCC - Molecular Weight1
- 366.53
- 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° | -133.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -719.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.64 | kJ/mol | Joback Calculated Property |
| log10WS | -6.66 | Crippen Calculated Property | |
| logPoct/wat | 5.576 | Crippen Calculated Property | |
| McVol | 327.120 | ml/mol | McGowan Calculated Property |
| Pc | 1061.02 | kPa | Joback Calculated Property |
| Inp | 2502.00 | NIST | |
| Tboil | 863.90 | K | Joback Calculated Property |
| Tc | 1060.36 | K | Joback Calculated Property |
| Tfus | 573.12 | K | Joback Calculated Property |
| Vc | 1.272 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1041.39; 1132.41] | J/mol×K | [863.90; 1060.36] | 
|
| Cp,gas | 1041.39 | J/mol×K | 863.90 | Joback Calculated Property |
| Cp,gas | 1059.45 | J/mol×K | 896.64 | Joback Calculated Property |
| Cp,gas | 1076.32 | J/mol×K | 929.39 | Joback Calculated Property |
| Cp,gas | 1092.03 | J/mol×K | 962.13 | Joback Calculated Property |
| Cp,gas | 1106.60 | J/mol×K | 994.87 | Joback Calculated Property |
| Cp,gas | 1120.05 | J/mol×K | 1027.61 | Joback Calculated Property |
| Cp,gas | 1132.41 | J/mol×K | 1060.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, non-5-yn-3-yl propyl ester.
Sources
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