- InChI
- InChI=1S/C13H20O2/c1-9-5-6-10-12(2,3)8-7-11(14)13(10,4)15-9/h5-6,11,14H,7-8H2,1-4H3
- InChI Key
- KHKXQUICDUBJND-UHFFFAOYSA-N
- Formula
- C13H20O2
- SMILES
- CC1=CC=C2C(C)(C)CCC(O)C2(C)O1
- Molecular Weight1
- 208.30
- CAS
- 97306-62-2
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -69.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -372.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.53 | kJ/mol | Joback Calculated Property |
| log10WS | -3.59 | Crippen Calculated Property | |
| logPoct/wat | 2.786 | Crippen Calculated Property | |
| McVol | 175.450 | ml/mol | McGowan Calculated Property |
| Pc | 2701.41 | kPa | Joback Calculated Property |
| Inp | [1281.00; 1281.00] |
|
|
| Inp | 1281.00 | NIST | |
| Inp | 1281.00 | NIST | |
| Tboil | 650.62 | K | Joback Calculated Property |
| Tc | 866.38 | K | Joback Calculated Property |
| Tfus | 415.58 | K | Joback Calculated Property |
| Vc | 0.652 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [495.21; 586.83] | J/mol×K | [650.62; 866.38] |
|
| Cp,gas | 495.21 | J/mol×K | 650.62 | Joback Calculated Property |
| Cp,gas | 511.46 | J/mol×K | 686.58 | Joback Calculated Property |
| Cp,gas | 527.05 | J/mol×K | 722.54 | Joback Calculated Property |
| Cp,gas | 542.16 | J/mol×K | 758.50 | Joback Calculated Property |
| Cp,gas | 557.03 | J/mol×K | 794.46 | Joback Calculated Property |
| Cp,gas | 571.84 | J/mol×K | 830.42 | Joback Calculated Property |
| Cp,gas | 586.83 | J/mol×K | 866.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5,5,8a-Tetramethyl-6,7,8,8a-tetrahydro-5H-chromen-8-ol.
Sources
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