- InChI
- InChI=1S/C20H36O4/c1-3-5-7-9-10-14-18-24-20(22)16-12-11-15-19(21)23-17-13-8-6-4-2/h6,8H,3-5,7,9-18H2,1-2H3/b8-6+
- InChI Key
- XWTRADSAYBWLTM-SOFGYWHQSA-N
- Formula
- C20H36O4
- SMILES
-
CCC=CCCOC(=O)CCCCC(=O)OCCCCCCC
C - Molecular Weight1
- 340.50
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 0.9631 | Relay (... Calculated Property | |
| ΔfG° | -270.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -998.23 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 53.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.28 | kJ/mol | Relay (... Calculated Property |
| IE | 8.92 | eV | Relay (... Calculated Property |
| log10WS | -4.90 | Relay (... Calculated Property | |
| logPoct/wat | 5.350 | Crippen Calculated Property | |
| McVol | 303.240 | ml/mol | McGowan Calculated Property |
| Pc | 1115.57 | kPa | Joback Calculated Property |
| Inp | 2328.00 | NIST | |
| Tboil | 614.30 | K | Relay (... Calculated Property |
| Tc | 782.24 | K | Relay (... Calculated Property |
| Tfus | 246.27 | K | Relay (... Calculated Property |
| Vc | 1.142 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [943.87; 1035.55] | J/mol×K | [813.74; 999.86] | 
|
| Cp,gas | 943.87 | J/mol×K | 813.74 | Joback Calculated Property |
| Cp,gas | 961.55 | J/mol×K | 844.76 | Joback Calculated Property |
| Cp,gas | 978.23 | J/mol×K | 875.78 | Joback Calculated Property |
| Cp,gas | 993.95 | J/mol×K | 906.80 | Joback Calculated Property |
| Cp,gas | 1008.72 | J/mol×K | 937.82 | Joback Calculated Property |
| Cp,gas | 1022.58 | J/mol×K | 968.84 | Joback Calculated Property |
| Cp,gas | 1035.55 | J/mol×K | 999.86 | Joback Calculated Property |
| η | [0.0000463; 0.0007807] | Pa×s | [454.40; 813.74] |
|
| η | 0.0007807 | Pa×s | 454.40 | Joback Calculated Property |
| η | 0.0003707 | Pa×s | 514.29 | Joback Calculated Property |
| η | 0.0002056 | Pa×s | 574.18 | Joback Calculated Property |
| η | 0.0001274 | Pa×s | 634.07 | Joback Calculated Property |
| η | 0.0000858 | Pa×s | 693.96 | Joback Calculated Property |
| η | 0.0000615 | Pa×s | 753.85 | Joback Calculated Property |
| η | 0.0000463 | Pa×s | 813.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, octyl trans-hex-3-enyl ester.
Sources
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