- InChI
- InChI=1S/C8H14O2/c1-7(2)5-8(3,4)10-6(7)9/h5H2,1-4H3
- InChI Key
- DTPSINDCVZJYPO-UHFFFAOYSA-N
- Formula
- C8H14O2
- SMILES
- CC1(C)CC(C)(C)C(=O)O1
- Molecular Weight1
- 142.20
- CAS
- 4237-83-6
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.3718 | Relay (... Calculated Property | |
| ΔfG° | -174.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -469.65 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 6.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.52 | kJ/mol | Relay (... Calculated Property |
| IE | 9.56 | eV | Relay (... Calculated Property |
| log10WS | -1.43 | Relay (... Calculated Property | |
| logPoct/wat | 1.738 | Crippen Calculated Property | |
| McVol | 120.160 | ml/mol | McGowan Calculated Property |
| Pc | 3368.44 | kPa | Joback Calculated Property |
| Tboil | 450.94 | K | Relay (... Calculated Property |
| Tc | 634.50 | K | Relay (... Calculated Property |
| Tfus | 305.91 | K | Relay (... Calculated Property |
| Vc | 0.461 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [279.20; 360.40] | J/mol×K | [488.30; 717.80] | 
|
| Cp,gas | 279.20 | J/mol×K | 488.30 | Joback Calculated Property |
| Cp,gas | 294.96 | J/mol×K | 526.55 | Joback Calculated Property |
| Cp,gas | 309.57 | J/mol×K | 564.80 | Joback Calculated Property |
| Cp,gas | 323.23 | J/mol×K | 603.05 | Joback Calculated Property |
| Cp,gas | 336.12 | J/mol×K | 641.30 | Joback Calculated Property |
| Cp,gas | 348.45 | J/mol×K | 679.55 | Joback Calculated Property |
| Cp,gas | 360.40 | J/mol×K | 717.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Valeric acid, 4-hydroxy-2,2,4-trimethyl, gamma-lactone.
Sources
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