- InChI
- InChI=1S/C17H28O4/c1-4-14-20-16(18)12-10-8-6-7-9-11-13-17(19)21-15(3)5-2/h2,15H,4,6-14H2,1,3H3
- InChI Key
- TVZBRIMJCAVTCJ-UHFFFAOYSA-N
- Formula
- C17H28O4
- SMILES
- C#CC(C)OC(=O)CCCCCCCCC(=O)OCCC
- Molecular Weight1
- 296.40
- 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° | -154.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -597.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.22 | kJ/mol | Joback Calculated Property |
| log10WS | -4.57 | Crippen Calculated Property | |
| logPoct/wat | 3.625 | Crippen Calculated Property | |
| McVol | 256.670 | ml/mol | McGowan Calculated Property |
| Pc | 1477.02 | kPa | Joback Calculated Property |
| Inp | 2007.00 | NIST | |
| Tboil | 730.62 | K | Joback Calculated Property |
| Tc | 914.77 | K | Joback Calculated Property |
| Tfus | 457.64 | K | Joback Calculated Property |
| Vc | 0.992 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [740.13; 824.84] | J/mol×K | [730.62; 914.77] | 
|
| Cp,gas | 740.13 | J/mol×K | 730.62 | Joback Calculated Property |
| Cp,gas | 756.35 | J/mol×K | 761.31 | Joback Calculated Property |
| Cp,gas | 771.70 | J/mol×K | 792.00 | Joback Calculated Property |
| Cp,gas | 786.22 | J/mol×K | 822.70 | Joback Calculated Property |
| Cp,gas | 799.90 | J/mol×K | 853.39 | Joback Calculated Property |
| Cp,gas | 812.77 | J/mol×K | 884.08 | Joback Calculated Property |
| Cp,gas | 824.84 | J/mol×K | 914.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, but-3-yn-2-yl propyl ester.
Sources
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