- InChI
- InChI=1S/C15H22O/c1-11(2)6-5-7-12(3)14-9-8-13(4)15(16)10-14/h6,8-10,12,16H,5,7H2,1-4H3/t12-/m0/s1
- InChI Key
- FKWGCEDRLNNZOZ-LBPRGKRZSA-N
- Formula
- C15H22O
- SMILES
- CC(C)=CCCC(C)c1ccc(C)c(O)c1
- Molecular Weight1
- 218.33
- CAS
- 30199-26-9
- Other Names
-
- (R)-2-Methyl-5-(6-methylhept-5-en-2-yl)phenol
- o-Cresol, 5-(1,5-dimethyl-4-hexenyl)-, (-)-
- Xanthorrhizol
- Phenol, 5-[(1R)-1,5-dimethyl-4-hexen-1-yl]-2-methyl-
- Phenol, 5-[(1R)-1,5-dimethyl-4-hexenyl]-2-methyl-
- (-)-Xanthorrhizol
- (-)-Xanthorrizol
- (R)-(-)-Xanthorrhizol
- (R)-(-)-Xanthorrizol
- (R)-5-(1,5-dimethyl-4-hexenyl)-o-cresol
- 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.
- I : 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 | 0.6142 | Relay (... Calculated Property | |
| ΔfG° | 92.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -224.56 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 29.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.84 | kJ/mol | Relay (... Calculated Property |
| IE | 7.64 | eV | Relay (... Calculated Property |
| log10WS | -4.16 | Relay (... Calculated Property | |
| logPoct/wat | 4.551 | Crippen Calculated Property | |
| McVol | 200.020 | ml/mol | McGowan Calculated Property |
| Pc | 2208.29 | kPa | Joback Calculated Property |
| Inp | [1717.00; 1758.00] |
|
|
| Inp | 1719.00 | NIST | |
| Inp | 1728.00 | NIST | |
| Inp | 1752.00 | NIST | |
| Inp | 1730.00 | NIST | |
| Inp | 1730.00 | NIST | |
| Inp | 1717.00 | NIST | |
| Inp | 1717.00 | NIST | |
| Inp | 1749.00 | NIST | |
| Inp | 1754.00 | NIST | |
| Inp | 1758.00 | NIST | |
| Inp | 1753.00 | NIST | |
| Inp | 1753.00 | NIST | |
| Inp | 1719.00 | NIST | |
| I | 2674.00 | NIST | |
| Tboil | 569.16 | K | Relay (... Calculated Property |
| Tc | 783.97 | K | Relay (... Calculated Property |
| Tfus | 338.96 | K | Relay (... Calculated Property |
| Vc | 0.694 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [535.73; 623.20] | J/mol×K | [658.48; 876.37] |
|
| Cp,gas | 535.73 | J/mol×K | 658.48 | Joback Calculated Property |
| Cp,gas | 552.43 | J/mol×K | 694.79 | Joback Calculated Property |
| Cp,gas | 568.15 | J/mol×K | 731.11 | Joback Calculated Property |
| Cp,gas | 582.99 | J/mol×K | 767.42 | Joback Calculated Property |
| Cp,gas | 597.04 | J/mol×K | 803.74 | Joback Calculated Property |
| Cp,gas | 610.41 | J/mol×K | 840.05 | Joback Calculated Property |
| Cp,gas | 623.20 | J/mol×K | 876.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 5-(1,5-dimethyl-4-hexenyl)-2-methyl-, (R)-.
Sources
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