- InChI
- InChI=1S/C11H18O2/c1-4-7-9-11(12)13-10(6-3)8-5-2/h10H,4,6-7,9H2,1-3H3
- InChI Key
- JMTGAGXMQUQBSQ-UHFFFAOYSA-N
- Formula
- C11H18O2
- SMILES
- CC#CC(CC)OC(=O)CCCC
- Molecular Weight1
- 182.26
- 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° | 8.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -248.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.00 | kJ/mol | Joback Calculated Property |
| log10WS | -3.20 | Crippen Calculated Property | |
| logPoct/wat | 2.522 | Crippen Calculated Property | |
| McVol | 164.690 | ml/mol | McGowan Calculated Property |
| Pc | 2356.49 | kPa | Joback Calculated Property |
| Inp | [1277.60; 1277.60] |
|
|
| Inp | 1277.60 | NIST | |
| Inp | 1277.60 | NIST | |
| Tboil | 535.93 | K | Joback Calculated Property |
| Tc | 731.09 | K | Joback Calculated Property |
| Tfus | 376.99 | K | Joback Calculated Property |
| Vc | 0.631 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [380.79; 459.72] | J/mol×K | [535.93; 731.09] |
|
| Cp,gas | 380.79 | J/mol×K | 535.93 | Joback Calculated Property |
| Cp,gas | 395.49 | J/mol×K | 568.46 | Joback Calculated Property |
| Cp,gas | 409.57 | J/mol×K | 600.98 | Joback Calculated Property |
| Cp,gas | 423.02 | J/mol×K | 633.51 | Joback Calculated Property |
| Cp,gas | 435.86 | J/mol×K | 666.04 | Joback Calculated Property |
| Cp,gas | 448.09 | J/mol×K | 698.57 | Joback Calculated Property |
| Cp,gas | 459.72 | J/mol×K | 731.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Valeric acid, hex-4-yn-3-yl ester.
Sources
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