- InChI
- InChI=1S/C12H18O2/c1-4-6-7-8-9-10-12(13)14-11(3)5-2/h2,8-9,11H,4,6-7,10H2,1,3H3/b9-8+
- InChI Key
- BLTQCWAXHFORDG-CMDGGOBGSA-N
- Formula
- C12H18O2
- SMILES
- C#CC(C)OC(=O)CC=CCCCC
- Molecular Weight1
- 194.27
- 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° | 117.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -131.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.89 | kJ/mol | Joback Calculated Property |
| log10WS | -3.47 | Crippen Calculated Property | |
| logPoct/wat | 2.688 | Crippen Calculated Property | |
| McVol | 174.480 | ml/mol | McGowan Calculated Property |
| Pc | 2233.41 | kPa | Joback Calculated Property |
| Inp | [1316.00; 1316.00] |
|
|
| Inp | 1316.00 | NIST | |
| Inp | 1316.00 | NIST | |
| Tboil | 544.09 | K | Joback Calculated Property |
| Tc | 735.18 | K | Joback Calculated Property |
| Tfus | 324.05 | K | Joback Calculated Property |
| Vc | 0.667 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [407.56; 484.82] | J/mol×K | [544.09; 735.18] |
|
| Cp,gas | 407.56 | J/mol×K | 544.09 | Joback Calculated Property |
| Cp,gas | 422.14 | J/mol×K | 575.94 | Joback Calculated Property |
| Cp,gas | 436.00 | J/mol×K | 607.79 | Joback Calculated Property |
| Cp,gas | 449.17 | J/mol×K | 639.64 | Joback Calculated Property |
| Cp,gas | 461.68 | J/mol×K | 671.48 | Joback Calculated Property |
| Cp,gas | 473.56 | J/mol×K | 703.33 | Joback Calculated Property |
| Cp,gas | 484.82 | J/mol×K | 735.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Oct-3-enoic acid, but-3-yn-2-yl ester.
Sources
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