- InChI
- InChI=1S/C14H24O2/c1-4-7-8-9-10-12-14(15)16-13(6-3)11-5-2/h13H,4,6-10,12H2,1-3H3
- InChI Key
- UIYXGURQBFLUSB-UHFFFAOYSA-N
- Formula
- C14H24O2
- SMILES
- CC#CC(CC)OC(=O)CCCCCCC
- Molecular Weight1
- 224.34
- 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° | 33.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -310.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.68 | kJ/mol | Joback Calculated Property |
| log10WS | -4.45 | Crippen Calculated Property | |
| logPoct/wat | 3.692 | Crippen Calculated Property | |
| McVol | 206.960 | ml/mol | McGowan Calculated Property |
| Pc | 1813.86 | kPa | Joback Calculated Property |
| Inp | [1533.00; 1533.00] |
|
|
| Inp | 1533.00 | NIST | |
| Inp | 1533.00 | NIST | |
| Tboil | 604.57 | K | Joback Calculated Property |
| Tc | 792.72 | K | Joback Calculated Property |
| Tfus | 410.80 | K | Joback Calculated Property |
| Vc | 0.799 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [528.90; 618.55] | J/mol×K | [604.57; 792.72] |
|
| Cp,gas | 528.90 | J/mol×K | 604.57 | Joback Calculated Property |
| Cp,gas | 545.69 | J/mol×K | 635.93 | Joback Calculated Property |
| Cp,gas | 561.73 | J/mol×K | 667.29 | Joback Calculated Property |
| Cp,gas | 577.02 | J/mol×K | 698.64 | Joback Calculated Property |
| Cp,gas | 591.58 | J/mol×K | 730.00 | Joback Calculated Property |
| Cp,gas | 605.42 | J/mol×K | 761.36 | Joback Calculated Property |
| Cp,gas | 618.55 | J/mol×K | 792.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octanoic acid, hex-4-yn-3-yl ester.
Sources
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