- InChI
- InChI=1S/C22H38O4/c1-6-8-12-20(7-2)17-26-22(24)14-13-21(23)25-16-15-19(5)11-9-10-18(3)4/h10,15,20H,6-9,11-14,16-17H2,1-5H3/b19-15+
- InChI Key
- JRYFMNHVDFYNJA-XDJHFCHBSA-N
- Formula
- C22H38O4
- SMILES
-
CCCCC(CC)COC(=O)CCC(=O)OCC=C(C
)CCC=C(C)C - Molecular Weight1
- 366.53
- 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° | -192.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -777.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.57 | kJ/mol | Joback Calculated Property |
| log10WS | -6.22 | Crippen Calculated Property | |
| logPoct/wat | 5.762 | Crippen Calculated Property | |
| McVol | 327.120 | ml/mol | McGowan Calculated Property |
| Pc | 1029.92 | kPa | Joback Calculated Property |
| Inp | [2458.00; 2458.00] |
|
|
| Inp | 2458.00 | NIST | |
| Inp | 2458.00 | NIST | |
| Tboil | 862.98 | K | Joback Calculated Property |
| Tc | 1059.49 | K | Joback Calculated Property |
| Tfus | 428.94 | K | Joback Calculated Property |
| Vc | 1.272 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1039.11; 1133.01] | J/mol×K | [862.98; 1059.49] |
|
| Cp,gas | 1039.11 | J/mol×K | 862.98 | Joback Calculated Property |
| Cp,gas | 1057.26 | J/mol×K | 895.73 | Joback Calculated Property |
| Cp,gas | 1074.35 | J/mol×K | 928.48 | Joback Calculated Property |
| Cp,gas | 1090.43 | J/mol×K | 961.24 | Joback Calculated Property |
| Cp,gas | 1105.53 | J/mol×K | 993.99 | Joback Calculated Property |
| Cp,gas | 1119.71 | J/mol×K | 1026.74 | Joback Calculated Property |
| Cp,gas | 1133.01 | J/mol×K | 1059.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2-ethylhexyl geranyl ester.
Sources
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