- InChI
- InChI=1S/C18H30O4/c1-5-16(4)22-18(20)13-11-9-7-6-8-10-12-17(19)21-14-15(2)3/h1,15-16H,6-14H2,2-4H3
- InChI Key
- VJGGKCSEEFNQRZ-UHFFFAOYSA-N
- Formula
- C18H30O4
- SMILES
-
C#CC(C)OC(=O)CCCCCCCCC(=O)OCC(
C)C - Molecular Weight1
- 310.43
- 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° | -148.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -623.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.06 | kJ/mol | Joback Calculated Property |
| log10WS | -4.75 | Crippen Calculated Property | |
| logPoct/wat | 3.871 | Crippen Calculated Property | |
| McVol | 270.760 | ml/mol | McGowan Calculated Property |
| Pc | 1381.96 | kPa | Joback Calculated Property |
| Inp | 2067.00 | NIST | |
| Tboil | 753.06 | K | Joback Calculated Property |
| Tc | 939.36 | K | Joback Calculated Property |
| Tfus | 453.91 | K | Joback Calculated Property |
| Vc | 1.042 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [797.68; 884.77] | J/mol×K | [753.06; 939.36] | 
|
| Cp,gas | 797.68 | J/mol×K | 753.06 | Joback Calculated Property |
| Cp,gas | 814.46 | J/mol×K | 784.11 | Joback Calculated Property |
| Cp,gas | 830.31 | J/mol×K | 815.16 | Joback Calculated Property |
| Cp,gas | 845.24 | J/mol×K | 846.21 | Joback Calculated Property |
| Cp,gas | 859.29 | J/mol×K | 877.26 | Joback Calculated Property |
| Cp,gas | 872.46 | J/mol×K | 908.31 | Joback Calculated Property |
| Cp,gas | 884.77 | J/mol×K | 939.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, but-3-yn-2-yl isobutyl ester.
Sources
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