- InChI
- InChI=1S/C19H28O2/c1-14(2)19(20)21-13-16(4)7-6-8-17(5)18-11-9-15(3)10-12-18/h7,9-12,14,17H,6,8,13H2,1-5H3/b16-7-
- InChI Key
- KGLMNOPKEMTZSH-APSNUPSMSA-N
- Formula
- C19H28O2
- SMILES
-
CC(=CCCC(C)c1ccc(C)cc1)COC(=O)
C(C)C - Molecular Weight1
- 288.42
- 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 | 0.6549 | Relay (1.0) Calculated Property | |
| ΔfG° | 44.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -454.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.024 | Crippen Calculated Property | |
| McVol | 257.950 | ml/mol | McGowan Calculated Property |
| Pc | 1471.36 | kPa | Joback Calculated Property |
| Inp | 1997.00 | NIST | |
| Tboil | 592.62 | K | Relay (1.0) Calculated Property |
| Tc | 797.93 | K | Relay (1.0) Calculated Property |
| Tfus | 281.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.924 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [744.67; 838.31] | J/mol×K | [745.23; 950.80] | 
|
| Cp,gas | 744.67 | J/mol×K | 745.23 | Joback Calculated Property |
| Cp,gas | 762.87 | J/mol×K | 779.49 | Joback Calculated Property |
| Cp,gas | 779.97 | J/mol×K | 813.75 | Joback Calculated Property |
| Cp,gas | 796.01 | J/mol×K | 848.02 | Joback Calculated Property |
| Cp,gas | 811.05 | J/mol×K | 882.28 | Joback Calculated Property |
| Cp,gas | 825.14 | J/mol×K | 916.54 | Joback Calculated Property |
| Cp,gas | 838.31 | J/mol×K | 950.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-Nuciferol isobutyrate.
Sources
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