- InChI
- InChI=1S/C15H22O/c1-13-8-10-15(11-9-13)7-5-3-4-6-14(2)12-16/h6,8-11,16H,3-5,7,12H2,1-2H3/b14-6+
- InChI Key
- NAYBZOUJGHGOLI-MKMNVTDBSA-N
- Formula
- C15H22O
- SMILES
- CC(=CCCCCc1ccc(C)cc1)CO
- Molecular Weight1
- 218.33
- 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° | 113.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -172.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.64 | kJ/mol | Joback Calculated Property |
| log10WS | -4.38 | Crippen Calculated Property | |
| logPoct/wat | 3.646 | Crippen Calculated Property | |
| McVol | 200.020 | ml/mol | McGowan Calculated Property |
| Pc | 2079.33 | kPa | Joback Calculated Property |
| Inp | [1726.00; 1748.00] |
|
|
| Inp | 1744.00 | NIST | |
| Inp | 1726.00 | NIST | |
| Inp | 1726.00 | NIST | |
| Inp | 1729.00 | NIST | |
| Inp | 1748.00 | NIST | |
| Inp | 1729.00 | NIST | |
| Inp | 1748.00 | NIST | |
| Inp | 1744.00 | NIST | |
| Inp | 1726.00 | NIST | |
| I | [2352.00; 2352.00] |
|
|
| I | 2352.00 | NIST | |
| I | 2352.00 | NIST | |
| Tboil | 670.48 | K | Joback Calculated Property |
| Tc | 862.99 | K | Joback Calculated Property |
| Tfus | 339.53 | K | Joback Calculated Property |
| Vc | 0.767 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [538.42; 616.98] | J/mol×K | [670.48; 862.99] |
|
| Cp,gas | 538.42 | J/mol×K | 670.48 | Joback Calculated Property |
| Cp,gas | 553.40 | J/mol×K | 702.57 | Joback Calculated Property |
| Cp,gas | 567.56 | J/mol×K | 734.65 | Joback Calculated Property |
| Cp,gas | 580.95 | J/mol×K | 766.74 | Joback Calculated Property |
| Cp,gas | 593.63 | J/mol×K | 798.82 | Joback Calculated Property |
| Cp,gas | 605.62 | J/mol×K | 830.91 | Joback Calculated Property |
| Cp,gas | 616.98 | J/mol×K | 862.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-Nuciferol.
Sources
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