- InChI
- InChI=1S/C14H24O2/c1-5-7-9-13(11-12(3)4)16-14(15)10-8-6-2/h12-13H,5-6,8,10-11H2,1-4H3
- InChI Key
- JOVMXOXEEIDZSS-UHFFFAOYSA-N
- Formula
- C14H24O2
- SMILES
- CCC#CC(CC(C)C)OC(=O)CCCC
- 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° | 31.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -315.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.29 | kJ/mol | Joback Calculated Property |
| log10WS | -4.21 | Crippen Calculated Property | |
| logPoct/wat | 3.548 | Crippen Calculated Property | |
| McVol | 206.960 | ml/mol | McGowan Calculated Property |
| Pc | 1826.28 | kPa | Joback Calculated Property |
| Inp | [1455.30; 1455.30] |
|
|
| Inp | 1455.30 | NIST | |
| Inp | 1455.30 | NIST | |
| Tboil | 604.13 | K | Joback Calculated Property |
| Tc | 795.74 | K | Joback Calculated Property |
| Tfus | 395.80 | K | Joback Calculated Property |
| Vc | 0.793 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [529.27; 620.53] | J/mol×K | [604.13; 795.74] |
|
| Cp,gas | 529.27 | J/mol×K | 604.13 | Joback Calculated Property |
| Cp,gas | 546.42 | J/mol×K | 636.06 | Joback Calculated Property |
| Cp,gas | 562.78 | J/mol×K | 668.00 | Joback Calculated Property |
| Cp,gas | 578.36 | J/mol×K | 699.93 | Joback Calculated Property |
| Cp,gas | 593.16 | J/mol×K | 731.87 | Joback Calculated Property |
| Cp,gas | 607.22 | J/mol×K | 763.80 | Joback Calculated Property |
| Cp,gas | 620.53 | J/mol×K | 795.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Valeric acid, 2-methyloct-5-yn-4-yl ester.
Sources
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