- InChI
- InChI=1S/C22H40O4/c1-18(2)10-8-12-20(5)15-17-26-22(24)14-7-6-13-21(23)25-16-9-11-19(3)4/h10,19-20H,6-9,11-17H2,1-5H3
- InChI Key
- WKQAMVXEHVRFKC-UHFFFAOYSA-N
- Formula
- C22H40O4
- SMILES
-
CC(C)=CCCC(C)CCOC(=O)CCCCC(=O)
OCCCC(C)C - Molecular Weight1
- 368.55
- 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° | -266.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -890.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.14 | kJ/mol | Joback Calculated Property |
| log10WS | -6.13 | Crippen Calculated Property | |
| logPoct/wat | 5.842 | Crippen Calculated Property | |
| McVol | 331.420 | ml/mol | McGowan Calculated Property |
| Pc | 998.28 | kPa | Joback Calculated Property |
| Inp | 2440.00 | NIST | |
| Tboil | 858.50 | K | Joback Calculated Property |
| Tc | 1052.82 | K | Joback Calculated Property |
| Tfus | 432.98 | K | Joback Calculated Property |
| Vc | 1.284 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1066.36; 1161.71] | J/mol×K | [858.50; 1052.82] | 
|
| Cp,gas | 1066.36 | J/mol×K | 858.50 | Joback Calculated Property |
| Cp,gas | 1085.02 | J/mol×K | 890.89 | Joback Calculated Property |
| Cp,gas | 1102.52 | J/mol×K | 923.27 | Joback Calculated Property |
| Cp,gas | 1118.90 | J/mol×K | 955.66 | Joback Calculated Property |
| Cp,gas | 1134.21 | J/mol×K | 988.05 | Joback Calculated Property |
| Cp,gas | 1148.47 | J/mol×K | 1020.43 | Joback Calculated Property |
| Cp,gas | 1161.71 | J/mol×K | 1052.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, «beta»-citronellyl isohexyl ester.
Sources
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