- InChI
- InChI=1S/C7H12O2/c1-5-3-6(2)9-7(8)4-5/h5-6H,3-4H2,1-2H3
- InChI Key
- KSFJZYURRNSMGO-UHFFFAOYSA-N
- Formula
- C7H12O2
- SMILES
- CC1CC(=O)OC(C)C1
- Molecular Weight1
- 128.17
- CAS
- 3720-20-5
- Other Names
-
- 2H-Pyran-2-one, tetrahydro-4,6-dimethyl-
- 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).
- I : 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 |
|---|---|---|---|
| ω | 0.3681 | Relay (1.0) Calculated Property | |
| ΔfG° | -183.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -474.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.348 | Crippen Calculated Property | |
| McVol | 106.070 | ml/mol | McGowan Calculated Property |
| Pc | 3493.01 | kPa | Joback Calculated Property |
| I | 1780.00 | NIST | |
| Tboil | 483.38 | K | Relay (1.0) Calculated Property |
| Tc | 650.19 | K | Relay (1.0) Calculated Property |
| Tfus | 235.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.379 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [234.42; 318.55] | J/mol×K | [469.21; 691.39] | 
|
| Cp,gas | 234.42 | J/mol×K | 469.21 | Joback Calculated Property |
| Cp,gas | 250.08 | J/mol×K | 506.24 | Joback Calculated Property |
| Cp,gas | 265.11 | J/mol×K | 543.27 | Joback Calculated Property |
| Cp,gas | 279.49 | J/mol×K | 580.30 | Joback Calculated Property |
| Cp,gas | 293.21 | J/mol×K | 617.33 | Joback Calculated Property |
| Cp,gas | 306.23 | J/mol×K | 654.36 | Joback Calculated Property |
| Cp,gas | 318.55 | J/mol×K | 691.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 5-hydroxy-3-methyl-, «delta»-lactone.
Sources
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