- InChI
- InChI=1S/C8H14O2/c1-5(2)6-8(3,4)7(9)10-6/h5-6H,1-4H3
- InChI Key
- JMHWSGPTHJGHMB-UHFFFAOYSA-N
- Formula
- C8H14O2
- SMILES
- CC(C)C1OC(=O)C1(C)C
- Molecular Weight1
- 142.20
- CAS
- 7227-96-5
- 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).
- 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° | -159.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -421.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.40 | kJ/mol | Joback Calculated Property |
| log10WS | -1.56 | Crippen Calculated Property | |
| logPoct/wat | 1.594 | Crippen Calculated Property | |
| McVol | 120.160 | ml/mol | McGowan Calculated Property |
| Pc | 3138.51 | kPa | Joback Calculated Property |
| Tboil | 483.35 | K | Joback Calculated Property |
| Tc | 699.79 | K | Joback Calculated Property |
| Tfus | 293.79 | K | Joback Calculated Property |
| Vc | 0.452 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [279.41; 359.30] | J/mol×K | [483.35; 699.79] | 
|
| Cp,gas | 279.41 | J/mol×K | 483.35 | Joback Calculated Property |
| Cp,gas | 294.65 | J/mol×K | 519.42 | Joback Calculated Property |
| Cp,gas | 309.00 | J/mol×K | 555.50 | Joback Calculated Property |
| Cp,gas | 322.56 | J/mol×K | 591.57 | Joback Calculated Property |
| Cp,gas | 335.40 | J/mol×K | 627.64 | Joback Calculated Property |
| Cp,gas | 347.62 | J/mol×K | 663.71 | Joback Calculated Property |
| Cp,gas | 359.30 | J/mol×K | 699.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Valeric acid, 3-hydroxy-2,2,4-trimethyl, beta-lactone.
Sources
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