- InChI
- InChI=1S/C8H12O2/c1-6-4-8(2,3)5-10-7(6)9/h4H,5H2,1-3H3
- InChI Key
- QQKORHIXEIINLR-UHFFFAOYSA-N
- Formula
- C8H12O2
- SMILES
- CC1=CC(C)(C)COC1=O
- Molecular Weight1
- 140.18
- CAS
- 74793-10-5
- 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° | -152.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -362.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.39 | kJ/mol | Joback Calculated Property |
| log10WS | -1.54 | Crippen Calculated Property | |
| logPoct/wat | 1.516 | Crippen Calculated Property | |
| McVol | 115.860 | ml/mol | McGowan Calculated Property |
| Pc | 3505.43 | kPa | Joback Calculated Property |
| Tboil | 501.14 | K | Joback Calculated Property |
| Tc | 733.34 | K | Joback Calculated Property |
| Tfus | 298.60 ± 0.80 | K | NIST |
| Vc | 0.428 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [261.14; 337.94] | J/mol×K | [501.14; 733.34] | 
|
| Cp,gas | 261.14 | J/mol×K | 501.14 | Joback Calculated Property |
| Cp,gas | 275.78 | J/mol×K | 539.84 | Joback Calculated Property |
| Cp,gas | 289.56 | J/mol×K | 578.54 | Joback Calculated Property |
| Cp,gas | 302.58 | J/mol×K | 617.24 | Joback Calculated Property |
| Cp,gas | 314.93 | J/mol×K | 655.94 | Joback Calculated Property |
| Cp,gas | 326.69 | J/mol×K | 694.64 | Joback Calculated Property |
| Cp,gas | 337.94 | J/mol×K | 733.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2H-Pyran-2-one, 5,6-dihydro-3,5,5-trimethyl-.
Sources
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