- InChI
- InChI=1S/C26H44O4/c1-6-7-8-15-20-29-25(27)16-13-11-9-10-12-14-17-26(28)30-24(21-23(4)5)19-18-22(2)3/h23-24H,2,6-17,20-21H2,1,3-5H3
- InChI Key
- QENMDAFWCNSMBD-UHFFFAOYSA-N
- Formula
- C26H44O4
- SMILES
-
C=C(C)C#CC(CC(C)C)OC(=O)CCCCCC
CCC(=O)OCCCCCC - Molecular Weight1
- 420.63
- 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 | 1.0377 | Relay (... Calculated Property | |
| ΔfG° | -22.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -830.98 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 62.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.36 | kJ/mol | Relay (... Calculated Property |
| IE | 8.83 | eV | Relay (... Calculated Property |
| log10WS | -6.32 | Relay (... Calculated Property | |
| logPoct/wat | 6.768 | Crippen Calculated Property | |
| McVol | 379.180 | ml/mol | McGowan Calculated Property |
| Pc | 865.56 | kPa | Joback Calculated Property |
| Inp | [2728.00; 2728.00] |
|
|
| Inp | 2728.00 | NIST | |
| Inp | 2728.00 | NIST | |
| Tboil | 638.19 | K | Relay (... Calculated Property |
| Tc | 819.71 | K | Relay (... Calculated Property |
| Tfus | 283.78 | K | Relay (... Calculated Property |
| Vc | 1.395 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1261.56; 1353.92] | J/mol×K | [951.54; 1165.04] |
|
| Cp,gas | 1261.56 | J/mol×K | 951.54 | Joback Calculated Property |
| Cp,gas | 1280.43 | J/mol×K | 987.12 | Joback Calculated Property |
| Cp,gas | 1297.86 | J/mol×K | 1022.71 | Joback Calculated Property |
| Cp,gas | 1313.87 | J/mol×K | 1058.29 | Joback Calculated Property |
| Cp,gas | 1328.52 | J/mol×K | 1093.87 | Joback Calculated Property |
| Cp,gas | 1341.86 | J/mol×K | 1129.46 | Joback Calculated Property |
| Cp,gas | 1353.92 | J/mol×K | 1165.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 2,7-dimethylocta-7-en-5-yn-4-yl hexyl ester.
Sources
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