- InChI
- InChI=1S/C10H16O2/c1-4-6-7-8-10(11)12-9(3)5-2/h2,9H,4,6-8H2,1,3H3
- InChI Key
- KSURAUYMISABRX-UHFFFAOYSA-N
- Formula
- C10H16O2
- SMILES
- C#CC(C)OC(=O)CCCCC
- Molecular Weight1
- 168.23
- 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° | 20.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -207.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.48 | kJ/mol | Joback Calculated Property |
| log10WS | -2.78 | Crippen Calculated Property | |
| logPoct/wat | 2.132 | Crippen Calculated Property | |
| McVol | 150.600 | ml/mol | McGowan Calculated Property |
| Pc | 2561.10 | kPa | Joback Calculated Property |
| Inp | [804.00; 804.00] |
|
|
| Inp | 804.00 | NIST | |
| Inp | 804.00 | NIST | |
| Tboil | 494.17 | K | Joback Calculated Property |
| Tc | 681.50 | K | Joback Calculated Property |
| Tfus | 306.59 | K | Joback Calculated Property |
| Vc | 0.576 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [333.87; 405.29] | J/mol×K | [494.17; 681.50] |
|
| Cp,gas | 333.87 | J/mol×K | 494.17 | Joback Calculated Property |
| Cp,gas | 347.16 | J/mol×K | 525.39 | Joback Calculated Property |
| Cp,gas | 359.88 | J/mol×K | 556.61 | Joback Calculated Property |
| Cp,gas | 372.04 | J/mol×K | 587.84 | Joback Calculated Property |
| Cp,gas | 383.66 | J/mol×K | 619.06 | Joback Calculated Property |
| Cp,gas | 394.73 | J/mol×K | 650.28 | Joback Calculated Property |
| Cp,gas | 405.29 | J/mol×K | 681.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, but-3-yn-2-yl ester.
Sources
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