- InChI
- InChI=1S/C13H20O2/c1-3-5-7-8-9-11-13(14)15-12-10-6-4-2/h2,6,10H,3,5,7-9,11-12H2,1H3
- InChI Key
- QSUKOVORNGWCOD-UHFFFAOYSA-N
- Formula
- C13H20O2
- SMILES
- C#CC=CCOC(=O)CCCCCCC
- Molecular Weight1
- 208.30
- 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° | 127.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -147.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.50 | kJ/mol | Joback Calculated Property |
| log10WS | -3.78 | Crippen Calculated Property | |
| logPoct/wat | 3.080 | Crippen Calculated Property | |
| McVol | 188.570 | ml/mol | McGowan Calculated Property |
| Pc | 2029.06 | kPa | Joback Calculated Property |
| Inp | [1492.00; 1492.00] |
|
|
| Inp | 1492.00 | NIST | |
| Inp | 1492.00 | NIST | |
| Tboil | 567.41 | K | Joback Calculated Property |
| Tc | 752.63 | K | Joback Calculated Property |
| Tfus | 350.32 | K | Joback Calculated Property |
| Vc | 0.730 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [455.40; 534.84] | J/mol×K | [567.41; 752.63] |
|
| Cp,gas | 455.40 | J/mol×K | 567.41 | Joback Calculated Property |
| Cp,gas | 470.33 | J/mol×K | 598.28 | Joback Calculated Property |
| Cp,gas | 484.55 | J/mol×K | 629.15 | Joback Calculated Property |
| Cp,gas | 498.08 | J/mol×K | 660.02 | Joback Calculated Property |
| Cp,gas | 510.96 | J/mol×K | 690.89 | Joback Calculated Property |
| Cp,gas | 523.20 | J/mol×K | 721.76 | Joback Calculated Property |
| Cp,gas | 534.84 | J/mol×K | 752.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octanoic acid, pent-2-en-4-ynyl ester.
Sources
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