- InChI
- InChI=1S/C25H46O2/c1-6-7-8-9-10-11-12-19-25(26)27-21-20-24(5)18-14-17-23(4)16-13-15-22(2)3/h15,17,24H,6-14,16,18-21H2,1-5H3/b23-17+
- InChI Key
- GQOWPKZBFFQEEF-HAVVHWLPSA-N
- Formula
- C25H46O2
- SMILES
-
CCCCCCCCCC(=O)OCCC(C)CCC=C(C)C
CC=C(C)C - Molecular Weight1
- 378.63
- CAS
- 220284-39-9
- 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 | 0.9277 | Relay (1.0) Calculated Property | |
| ΔfG° | 66.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -757.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.169 | Crippen Calculated Property | |
| McVol | 361.950 | ml/mol | McGowan Calculated Property |
| Pc | 840.16 | kPa | Joback Calculated Property |
| Inp | 2562.20 | NIST | |
| Tboil | 633.35 | K | Relay (1.0) Calculated Property |
| Tc | 807.80 | K | Relay (1.0) Calculated Property |
| Tfus | 247.61 | K | Relay (1.0) Calculated Property |
| Vc | 1.322 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1168.90; 1280.04] | J/mol×K | [855.33; 1048.10] | 
|
| Cp,gas | 1168.90 | J/mol×K | 855.33 | Joback Calculated Property |
| Cp,gas | 1189.94 | J/mol×K | 887.46 | Joback Calculated Property |
| Cp,gas | 1209.89 | J/mol×K | 919.59 | Joback Calculated Property |
| Cp,gas | 1228.81 | J/mol×K | 951.71 | Joback Calculated Property |
| Cp,gas | 1246.77 | J/mol×K | 983.84 | Joback Calculated Property |
| Cp,gas | 1263.82 | J/mol×K | 1015.97 | Joback Calculated Property |
| Cp,gas | 1280.04 | J/mol×K | 1048.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Dihydrofarnesyl decanoate.
Sources
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