- InChI
- InChI=1S/C15H22O/c1-12-7-9-15(10-8-12)14(3)6-4-5-13(2)11-16/h5,7-10,14,16H,4,6,11H2,1-3H3/b13-5-
- InChI Key
- FXCIQPDJVYFUQG-ACAGNQJTSA-N
- Formula
- C15H22O
- SMILES
- CC(=CCCC(C)c1ccc(C)cc1)CO
- Molecular Weight1
- 218.33
- Other Names
-
- Nuciferol (Z)
- 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.
- 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 | 0.6846 | Relay (... Calculated Property | |
| ΔfG° | 110.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -215.66 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 27.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.77 | kJ/mol | Relay (... Calculated Property |
| IE | 8.11 | eV | Relay (... Calculated Property |
| log10WS | -3.88 | Relay (... Calculated Property | |
| logPoct/wat | 3.817 | Crippen Calculated Property | |
| McVol | 200.020 | ml/mol | McGowan Calculated Property |
| Pc | 2094.58 | kPa | Joback Calculated Property |
| Inp | [1717.00; 1730.00] |
|
|
| Inp | 1727.70 | NIST | |
| Inp | 1724.00 | NIST | |
| Inp | 1730.00 | NIST | |
| Inp | 1717.00 | NIST | |
| Inp | 1727.70 | NIST | |
| Tboil | 592.42 | K | Relay (... Calculated Property |
| Tc | 793.22 | K | Relay (... Calculated Property |
| Tfus | 308.73 | K | Relay (... Calculated Property |
| Vc | 0.697 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [538.91; 618.65] | J/mol×K | [670.04; 865.73] |
|
| Cp,gas | 538.91 | J/mol×K | 670.04 | Joback Calculated Property |
| Cp,gas | 554.16 | J/mol×K | 702.66 | Joback Calculated Property |
| Cp,gas | 568.57 | J/mol×K | 735.27 | Joback Calculated Property |
| Cp,gas | 582.17 | J/mol×K | 767.89 | Joback Calculated Property |
| Cp,gas | 595.02 | J/mol×K | 800.50 | Joback Calculated Property |
| Cp,gas | 607.16 | J/mol×K | 833.12 | Joback Calculated Property |
| Cp,gas | 618.65 | J/mol×K | 865.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-Nuciferol.
Sources
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