- 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-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -474.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.71 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 1.348 | Crippen Calculated Property | |
| McVol | 106.070 | ml/mol | McGowan Calculated Property |
| I | 1780.00 | NIST | |
| Tboil | 483.38 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [217.50; 290.96] | J/mol×K | [424.32; 618.63] | 
|
| Cp,gas | 217.50 | J/mol×K | 424.32 | Joback Calculated Property |
| Cp,gas | 231.30 | J/mol×K | 456.70 | Joback Calculated Property |
| Cp,gas | 244.46 | J/mol×K | 489.09 | Joback Calculated Property |
| Cp,gas | 257.00 | J/mol×K | 521.47 | Joback Calculated Property |
| Cp,gas | 268.92 | J/mol×K | 553.86 | Joback Calculated Property |
| Cp,gas | 280.24 | J/mol×K | 586.24 | Joback Calculated Property |
| Cp,gas | 290.96 | J/mol×K | 618.63 | Joback Calculated Property |
| η | [0.0003563; 0.0020537] | Pa×s | [221.16; 424.32] |
|
| η | 0.0020537 | Pa×s | 221.16 | Joback Calculated Property |
| η | 0.0012635 | Pa×s | 255.02 | Joback Calculated Property |
| η | 0.0008711 | Pa×s | 288.88 | Joback Calculated Property |
| η | 0.0006493 | Pa×s | 322.74 | Joback Calculated Property |
| η | 0.0005118 | Pa×s | 356.60 | Joback Calculated Property |
| η | 0.0004204 | Pa×s | 390.46 | Joback Calculated Property |
| η | 0.0003563 | Pa×s | 424.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 5-hydroxy-3-methyl-, «delta»-lactone.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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