- InChI
- InChI=1S/C7H12O2/c1-7(2)5-3-4-6(8)9-7/h3-5H2,1-2H3
- InChI Key
- NALPFDQXLZMHJD-UHFFFAOYSA-N
- Formula
- C7H12O2
- SMILES
- CC1(C)CCCC(=O)O1
- Molecular Weight1
- 128.17
- CAS
- 2610-95-9
- Other Names
-
- 5-Methyl-5-hydroxyhexanoic acid lactone
- 5-Methylhexan-5-olide
- Tetrahydro-6,6-dimethyl-2H-pyran-2-one
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3640 | Relay (1.0) Calculated Property | |
| ΔfG° | -181.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -467.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.492 | Crippen Calculated Property | |
| McVol | 106.070 | ml/mol | McGowan Calculated Property |
| Pc | 3838.78 | kPa | Joback Calculated Property |
| Inp | 848.00 | NIST | |
| Tboil | 492.95 | K | Relay (1.0) Calculated Property |
| Tc | 665.61 | K | Relay (1.0) Calculated Property |
| Tfus | 255.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.387 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [234.15; 313.96] | J/mol×K | [474.12; 706.63] | 
|
| Cp,gas | 234.15 | J/mol×K | 474.12 | Joback Calculated Property |
| Cp,gas | 249.52 | J/mol×K | 512.87 | Joback Calculated Property |
| Cp,gas | 263.95 | J/mol×K | 551.62 | Joback Calculated Property |
| Cp,gas | 277.51 | J/mol×K | 590.38 | Joback Calculated Property |
| Cp,gas | 290.31 | J/mol×K | 629.13 | Joback Calculated Property |
| Cp,gas | 302.43 | J/mol×K | 667.88 | Joback Calculated Property |
| Cp,gas | 313.96 | J/mol×K | 706.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2H-Pyran-2-one, tetrahydro-6,6-dimethyl-.
Sources
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