- InChI
- InChI=1S/C27H48O4/c1-3-5-7-8-9-10-11-12-15-18-21-25-31-27(29)23-20-17-14-13-16-19-22-26(28)30-24-6-4-2/h3-17,19-20,22-25H2,1-2H3
- InChI Key
- WQGZOSUVBCJTRE-UHFFFAOYSA-N
- Formula
- C27H48O4
- SMILES
-
CCCCCCCCCCC#CCOC(=O)CCCCCCCCC(
=O)OCCCC - Molecular Weight1
- 436.67
- 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° | -88.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -817.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 74.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.16 | kJ/mol | Joback Calculated Property |
| log10WS | -8.64 | Crippen Calculated Property | |
| logPoct/wat | 7.528 | Crippen Calculated Property | |
| McVol | 397.570 | ml/mol | McGowan Calculated Property |
| Pc | 789.93 | kPa | Joback Calculated Property |
| Inp | 3113.00 | NIST | |
| Tboil | 978.74 | K | Joback Calculated Property |
| Tc | 1202.90 | K | Joback Calculated Property |
| Tfus | 644.47 | K | Joback Calculated Property |
| Vc | 1.558 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1354.57; 1450.80] | J/mol×K | [978.74; 1202.90] | 
|
| Cp,gas | 1354.57 | J/mol×K | 978.74 | Joback Calculated Property |
| Cp,gas | 1374.64 | J/mol×K | 1016.10 | Joback Calculated Property |
| Cp,gas | 1393.03 | J/mol×K | 1053.46 | Joback Calculated Property |
| Cp,gas | 1409.79 | J/mol×K | 1090.82 | Joback Calculated Property |
| Cp,gas | 1424.97 | J/mol×K | 1128.18 | Joback Calculated Property |
| Cp,gas | 1438.62 | J/mol×K | 1165.54 | Joback Calculated Property |
| Cp,gas | 1450.80 | J/mol×K | 1202.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, butyl tridec-2-ynyl ester.
Sources
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