- InChI
- InChI=1S/C14H22O2/c1-4-7-8-9-10-12-14(15)16-13(6-3)11-5-2/h9-10,13H,4,6-8,12H2,1-3H3/b10-9+
- InChI Key
- UKWYAJGZGAHXMW-MDZDMXLPSA-N
- Formula
- C14H22O2
- SMILES
- CC#CC(CC)OC(=O)CC=CCCCC
- Molecular Weight1
- 222.32
- 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° | 113.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -192.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.64 | kJ/mol | Joback Calculated Property |
| log10WS | -4.31 | Crippen Calculated Property | |
| logPoct/wat | 3.468 | Crippen Calculated Property | |
| McVol | 202.660 | ml/mol | McGowan Calculated Property |
| Pc | 1896.95 | kPa | Joback Calculated Property |
| Inp | [1562.00; 1562.00] |
|
|
| Inp | 1562.00 | NIST | |
| Inp | 1562.00 | NIST | |
| Tboil | 608.73 | K | Joback Calculated Property |
| Tc | 804.21 | K | Joback Calculated Property |
| Tfus | 405.72 | K | Joback Calculated Property |
| Vc | 0.779 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [508.80; 595.55] | J/mol×K | [608.73; 804.21] |
|
| Cp,gas | 508.80 | J/mol×K | 608.73 | Joback Calculated Property |
| Cp,gas | 525.18 | J/mol×K | 641.31 | Joback Calculated Property |
| Cp,gas | 540.76 | J/mol×K | 673.89 | Joback Calculated Property |
| Cp,gas | 555.56 | J/mol×K | 706.47 | Joback Calculated Property |
| Cp,gas | 569.61 | J/mol×K | 739.05 | Joback Calculated Property |
| Cp,gas | 582.93 | J/mol×K | 771.63 | Joback Calculated Property |
| Cp,gas | 595.55 | J/mol×K | 804.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Oct-3-enoic acid, hex-4-yn-3-yl ester.
Sources
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