- InChI
- InChI=1S/C18H26O2/c1-13(2)18(19)20-16(5)8-6-7-15(4)17-11-9-14(3)10-12-17/h8-13,15H,6-7H2,1-5H3/b16-8+
- InChI Key
- HPZWBNSNFMOEME-LZYBPNLTSA-N
- Formula
- C18H26O2
- SMILES
-
CC(=CCCC(C)c1ccc(C)cc1)OC(=O)C
(C)C - Molecular Weight1
- 274.40
- 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 | 0.6500 | Relay (... Calculated Property | |
| ΔfG° | 36.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -459.49 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 30.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.85 | kJ/mol | Relay (... Calculated Property |
| IE | 8.01 | eV | Relay (... Calculated Property |
| log10WS | -4.66 | Relay (... Calculated Property | |
| logPoct/wat | 4.982 | Crippen Calculated Property | |
| McVol | 243.860 | ml/mol | McGowan Calculated Property |
| Pc | 1586.01 | kPa | Joback Calculated Property |
| Inp | 2004.00 | NIST | |
| Tboil | 581.97 | K | Relay (... Calculated Property |
| Tc | 788.27 | K | Relay (... Calculated Property |
| Tfus | 279.17 | K | Relay (... Calculated Property |
| Vc | 0.879 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [688.06; 780.52] | J/mol×K | [722.35; 930.19] | 
|
| Cp,gas | 688.06 | J/mol×K | 722.35 | Joback Calculated Property |
| Cp,gas | 706.05 | J/mol×K | 756.99 | Joback Calculated Property |
| Cp,gas | 722.94 | J/mol×K | 791.63 | Joback Calculated Property |
| Cp,gas | 738.79 | J/mol×K | 826.27 | Joback Calculated Property |
| Cp,gas | 753.64 | J/mol×K | 860.91 | Joback Calculated Property |
| Cp,gas | 767.53 | J/mol×K | 895.55 | Joback Calculated Property |
| Cp,gas | 780.52 | J/mol×K | 930.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-Nuciferol isobutyrate.
Sources
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