- InChI
- InChI=1S/C20H36O4/c1-5-6-15-23-19(21)12-7-8-13-20(22)24-16-14-18(4)11-9-10-17(2)3/h10,18H,5-9,11-16H2,1-4H3
- InChI Key
- SRFXGQKZZOBJIX-UHFFFAOYSA-N
- Formula
- C20H36O4
- SMILES
-
CCCCOC(=O)CCCCC(=O)OCCC(C)CCC=
C(C)C - Molecular Weight1
- 340.50
- 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 | 0.9157 | Relay (... Calculated Property | |
| ΔfG° | -281.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1004.63 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 48.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.56 | kJ/mol | Relay (... Calculated Property |
| IE | 8.32 | eV | Relay (... Calculated Property |
| log10WS | -4.70 | Relay (... Calculated Property | |
| logPoct/wat | 5.206 | Crippen Calculated Property | |
| McVol | 303.240 | ml/mol | McGowan Calculated Property |
| Pc | 1125.32 | kPa | Joback Calculated Property |
| Inp | 2286.00 | NIST | |
| Tboil | 616.12 | K | Relay (... Calculated Property |
| Tc | 775.06 | K | Relay (... Calculated Property |
| Tfus | 235.47 | K | Relay (... Calculated Property |
| Vc | 1.119 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [943.98; 1036.34] | J/mol×K | [813.18; 1001.16] | 
|
| Cp,gas | 943.98 | J/mol×K | 813.18 | Joback Calculated Property |
| Cp,gas | 961.83 | J/mol×K | 844.51 | Joback Calculated Property |
| Cp,gas | 978.66 | J/mol×K | 875.84 | Joback Calculated Property |
| Cp,gas | 994.50 | J/mol×K | 907.17 | Joback Calculated Property |
| Cp,gas | 1009.38 | J/mol×K | 938.50 | Joback Calculated Property |
| Cp,gas | 1023.31 | J/mol×K | 969.83 | Joback Calculated Property |
| Cp,gas | 1036.34 | J/mol×K | 1001.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, «beta»-citronellyl butyl ester.
Sources
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