- InChI
- InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-9,11-12,14H,1-4H3/b8-7+
- InChI Key
- BMGXVFDEVRFFSY-BQYQJAHWSA-N
- Formula
- C13H20O
- SMILES
- CC1=CC=CC(C)(C)C1C=CC(C)O
- Molecular Weight1
- 192.30
- 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° | 61.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -198.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.00 | kJ/mol | Joback Calculated Property |
| log10WS | -3.61 | Crippen Calculated Property | |
| logPoct/wat | 3.082 | Crippen Calculated Property | |
| McVol | 176.140 | ml/mol | McGowan Calculated Property |
| Pc | 2402.92 | kPa | Joback Calculated Property |
| Inp | [1662.00; 1662.00] |
|
|
| Inp | 1662.00 | NIST | |
| Inp | 1662.00 | NIST | |
| Tboil | 611.16 | K | Joback Calculated Property |
| Tc | 812.67 | K | Joback Calculated Property |
| Tfus | 318.09 | K | Joback Calculated Property |
| Vc | 0.658 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [459.12; 543.82] | J/mol×K | [611.16; 812.67] |
|
| Cp,gas | 459.12 | J/mol×K | 611.16 | Joback Calculated Property |
| Cp,gas | 474.98 | J/mol×K | 644.75 | Joback Calculated Property |
| Cp,gas | 490.00 | J/mol×K | 678.33 | Joback Calculated Property |
| Cp,gas | 504.29 | J/mol×K | 711.92 | Joback Calculated Property |
| Cp,gas | 517.95 | J/mol×K | 745.50 | Joback Calculated Property |
| Cp,gas | 531.09 | J/mol×K | 779.09 | Joback Calculated Property |
| Cp,gas | 543.82 | J/mol×K | 812.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Dehydro-«alpha»-ionol.
Sources
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