- InChI
- InChI=1S/C19H28O2/c1-15(2)19(20)21-14-17(4)8-6-5-7-9-18-12-10-16(3)11-13-18/h8,10-13,15H,5-7,9,14H2,1-4H3/b17-8+
- InChI Key
- PNFRTFPRRKETBY-CAOOACKPSA-N
- Formula
- C19H28O2
- SMILES
-
CC(=CCCCCc1ccc(C)cc1)COC(=O)C(
C)C - Molecular Weight1
- 288.42
- 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° | 47.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -353.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.63 | kJ/mol | Joback Calculated Property |
| log10WS | -5.41 | Crippen Calculated Property | |
| logPoct/wat | 4.853 | Crippen Calculated Property | |
| McVol | 257.950 | ml/mol | McGowan Calculated Property |
| Pc | 1462.37 | kPa | Joback Calculated Property |
| Inp | [1975.00; 1975.00] |
|
|
| Inp | 1975.00 | NIST | |
| Inp | 1975.00 | NIST | |
| Tboil | 745.67 | K | Joback Calculated Property |
| Tc | 948.22 | K | Joback Calculated Property |
| Tfus | 380.95 | K | Joback Calculated Property |
| Vc | 0.991 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [744.16; 836.72] | J/mol×K | [745.67; 948.22] |
|
| Cp,gas | 744.16 | J/mol×K | 745.67 | Joback Calculated Property |
| Cp,gas | 762.09 | J/mol×K | 779.43 | Joback Calculated Property |
| Cp,gas | 778.95 | J/mol×K | 813.19 | Joback Calculated Property |
| Cp,gas | 794.80 | J/mol×K | 846.94 | Joback Calculated Property |
| Cp,gas | 809.68 | J/mol×K | 880.70 | Joback Calculated Property |
| Cp,gas | 823.64 | J/mol×K | 914.46 | Joback Calculated Property |
| Cp,gas | 836.72 | J/mol×K | 948.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-Nuciferyl isobutyrate.
Sources
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