- InChI
- InChI=1S/C18H32O2/c1-15(2)9-6-7-12-18(19)20-14-13-17(5)11-8-10-16(3)4/h10,13,15H,6-9,11-12,14H2,1-5H3/b17-13-
- InChI Key
- JSKBFQNICWTSJO-LGMDPLHJSA-N
- Formula
- C18H32O2
- SMILES
-
CC(C)=CCCC(C)=CCOC(=O)CCCCC(C)
C - Molecular Weight1
- 280.45
- 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 | 0.6839 | Relay (... Calculated Property | |
| ΔfG° | 7.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -600.48 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 39.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.83 | kJ/mol | Relay (... Calculated Property |
| IE | 8.36 | eV | Relay (... Calculated Property |
| log10WS | -5.41 | Relay (... Calculated Property | |
| logPoct/wat | 5.439 | Crippen Calculated Property | |
| McVol | 263.320 | ml/mol | McGowan Calculated Property |
| Pc | 1295.79 | kPa | Joback Calculated Property |
| Inp | [1882.00; 1882.00] |
|
|
| Inp | 1882.00 | NIST | |
| Inp | 1882.00 | NIST | |
| Tboil | 574.88 | K | Relay (... Calculated Property |
| Tc | 746.53 | K | Relay (... Calculated Property |
| Tfus | 233.10 | K | Relay (... Calculated Property |
| Vc | 0.945 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [745.63; 843.70] | J/mol×K | [695.17; 878.37] |
|
| Cp,gas | 745.63 | J/mol×K | 695.17 | Joback Calculated Property |
| Cp,gas | 764.10 | J/mol×K | 725.70 | Joback Calculated Property |
| Cp,gas | 781.67 | J/mol×K | 756.24 | Joback Calculated Property |
| Cp,gas | 798.37 | J/mol×K | 786.77 | Joback Calculated Property |
| Cp,gas | 814.25 | J/mol×K | 817.30 | Joback Calculated Property |
| Cp,gas | 829.35 | J/mol×K | 847.84 | Joback Calculated Property |
| Cp,gas | 843.70 | J/mol×K | 878.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Geranyl isooctanoate.
Sources
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