- InChI
- InChI=1S/C14H22O3/c1-13(2,3)10-8(15)7-9(16)12(17)11(10)14(4,5)6/h7,10-11,16H,1-6H3
- InChI Key
- PQLUOEUDBQLIIE-UHFFFAOYSA-N
- Formula
- C14H22O3
- SMILES
-
CC(C)(C)C1C(=O)C=C(O)C(=O)C1C(
C)(C)C - Molecular Weight1
- 238.32
- CAS
- 3791-04-6
- 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° | -272.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -697.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.41 | kJ/mol | Joback Calculated Property |
| log10WS | -2.84 | Crippen Calculated Property | |
| logPoct/wat | 2.905 | Crippen Calculated Property | |
| McVol | 201.970 | ml/mol | McGowan Calculated Property |
| Pc | 2125.60 | kPa | Joback Calculated Property |
| Tboil | 760.10 | K | Joback Calculated Property |
| Tc | 981.94 | K | Joback Calculated Property |
| Tfus | 466.06 | K | Joback Calculated Property |
| Vc | 0.749 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [631.88; 714.11] | J/mol×K | [760.10; 981.94] | 
|
| Cp,gas | 631.88 | J/mol×K | 760.10 | Joback Calculated Property |
| Cp,gas | 648.72 | J/mol×K | 797.07 | Joback Calculated Property |
| Cp,gas | 664.29 | J/mol×K | 834.05 | Joback Calculated Property |
| Cp,gas | 678.60 | J/mol×K | 871.02 | Joback Calculated Property |
| Cp,gas | 691.67 | J/mol×K | 907.99 | Joback Calculated Property |
| Cp,gas | 703.50 | J/mol×K | 944.97 | Joback Calculated Property |
| Cp,gas | 714.11 | J/mol×K | 981.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dl-trans-5,6-di-tert-butyl-2-hydroxy-1,4-diketo-2-cyclohexene.
Sources
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