- InChI
- InChI=1S/C15H20O/c1-13-8-10-15(11-9-13)7-5-3-4-6-14(2)12-16/h6,8-12H,3-5,7H2,1-2H3/b14-6+
- InChI Key
- IZFSDKNXOMAAQL-MKMNVTDBSA-N
- Formula
- C15H20O
- SMILES
- CC(C=O)=CCCCCc1ccc(C)cc1
- Molecular Weight1
- 216.32
- 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° | 150.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -106.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.68 | kJ/mol | Joback Calculated Property |
| log10WS | -4.40 | Crippen Calculated Property | |
| logPoct/wat | 3.853 | Crippen Calculated Property | |
| McVol | 195.720 | ml/mol | McGowan Calculated Property |
| Pc | 2045.61 | kPa | Joback Calculated Property |
| Inp | [1700.00; 1701.00] |
|
|
| Inp | 1701.00 | NIST | |
| Inp | 1700.00 | NIST | |
| Inp | 1701.00 | NIST | |
| Inp | 1700.00 | NIST | |
| Tboil | 626.96 | K | Joback Calculated Property |
| Tc | 833.85 | K | Joback Calculated Property |
| Tfus | 320.71 | K | Joback Calculated Property |
| Vc | 0.765 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [497.30; 582.29] | J/mol×K | [626.96; 833.85] |
|
| Cp,gas | 497.30 | J/mol×K | 626.96 | Joback Calculated Property |
| Cp,gas | 513.72 | J/mol×K | 661.44 | Joback Calculated Property |
| Cp,gas | 529.17 | J/mol×K | 695.92 | Joback Calculated Property |
| Cp,gas | 543.70 | J/mol×K | 730.41 | Joback Calculated Property |
| Cp,gas | 557.36 | J/mol×K | 764.89 | Joback Calculated Property |
| Cp,gas | 570.20 | J/mol×K | 799.37 | Joback Calculated Property |
| Cp,gas | 582.29 | J/mol×K | 833.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-Nuciferal.
Sources
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