- InChI
- InChI=1S/C19H32O4/c1-4-6-13-16-22-18(20)14-11-9-7-8-10-12-15-19(21)23-17(3)5-2/h2,17H,4,6-16H2,1,3H3
- InChI Key
- LMPOTNXOFUMTCJ-UHFFFAOYSA-N
- Formula
- C19H32O4
- SMILES
-
C#CC(C)OC(=O)CCCCCCCCC(=O)OCCC
CC - Molecular Weight1
- 324.45
- 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° | -138.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -638.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.67 | kJ/mol | Joback Calculated Property |
| log10WS | -5.41 | Crippen Calculated Property | |
| logPoct/wat | 4.405 | Crippen Calculated Property | |
| McVol | 284.850 | ml/mol | McGowan Calculated Property |
| Pc | 1280.99 | kPa | Joback Calculated Property |
| Inp | 2199.00 | NIST | |
| Tboil | 776.38 | K | Joback Calculated Property |
| Tc | 961.54 | K | Joback Calculated Property |
| Tfus | 480.18 | K | Joback Calculated Property |
| Vc | 1.103 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [855.24; 943.16] | J/mol×K | [776.38; 961.54] | 
|
| Cp,gas | 855.24 | J/mol×K | 776.38 | Joback Calculated Property |
| Cp,gas | 872.19 | J/mol×K | 807.24 | Joback Calculated Property |
| Cp,gas | 888.20 | J/mol×K | 838.10 | Joback Calculated Property |
| Cp,gas | 903.28 | J/mol×K | 868.96 | Joback Calculated Property |
| Cp,gas | 917.45 | J/mol×K | 899.82 | Joback Calculated Property |
| Cp,gas | 930.74 | J/mol×K | 930.68 | Joback Calculated Property |
| Cp,gas | 943.16 | J/mol×K | 961.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, but-3-yn-2-yl pentyl ester.
Sources
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