- InChI
- InChI=1S/C15H26O/c1-12(2)6-5-7-13(3)14-8-10-15(4,16)11-9-14/h6,8,10,13-14,16H,5,7,9,11H2,1-4H3
- InChI Key
- VVCHIOKYQRUBED-UHFFFAOYSA-N
- Formula
- C15H26O
- SMILES
- CC(C)=CCCC(C)C1C=CC(C)(O)CC1
- Molecular Weight1
- 222.37
- CAS
- 58334-55-7
- Other Names
-
- Zingiberenol
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | 49.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -296.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.57 | kJ/mol | Joback Calculated Property |
| log10WS | -4.60 | Crippen Calculated Property | |
| logPoct/wat | 4.086 | Crippen Calculated Property | |
| McVol | 208.620 | ml/mol | McGowan Calculated Property |
| Pc | 1978.82 | kPa | Joback Calculated Property |
| Inp | [1583.00; 1635.00] |
|
|
| Inp | 1583.00 | NIST | |
| Inp | 1603.00 | NIST | |
| Inp | 1635.00 | NIST | |
| Inp | 1620.00 | NIST | |
| Inp | 1635.00 | NIST | |
| Inp | 1603.00 | NIST | |
| Inp | 1593.00 | NIST | |
| Inp | 1611.00 | NIST | |
| Inp | 1583.00 | NIST | |
| Inp | 1616.00 | NIST | |
| Inp | 1606.00 | NIST | |
| I | [2062.00; 2113.00] |
|
|
| I | 2100.00 | NIST | |
| I | 2104.00 | NIST | |
| I | 2109.00 | NIST | |
| I | 2100.00 | NIST | |
| I | Outlier 2062.00 | NIST | |
| I | 2113.00 | NIST | |
| Tboil | 652.66 | K | Joback Calculated Property |
| Tc | 849.56 | K | Joback Calculated Property |
| Tfus | 313.39 | K | Joback Calculated Property |
| Vc | 0.785 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [585.90; 683.95] | J/mol×K | [652.66; 849.56] |
|
| Cp,gas | 585.90 | J/mol×K | 652.66 | Joback Calculated Property |
| Cp,gas | 604.08 | J/mol×K | 685.48 | Joback Calculated Property |
| Cp,gas | 621.39 | J/mol×K | 718.29 | Joback Calculated Property |
| Cp,gas | 637.92 | J/mol×K | 751.11 | Joback Calculated Property |
| Cp,gas | 653.79 | J/mol×K | 783.93 | Joback Calculated Property |
| Cp,gas | 669.09 | J/mol×K | 816.75 | Joback Calculated Property |
| Cp,gas | 683.95 | J/mol×K | 849.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (1R,4R)-1-methyl-4-(6-Methylhept-5-en-2-yl)cyclohex-2-enol.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.