- InChI
- InChI=1S/C20H30O4/c1-4-5-6-9-15-23-19(21)13-7-8-14-20(22)24-18-12-10-11-16(2)17(18)3/h10-12H,4-9,13-15H2,1-3H3
- InChI Key
- PWDRTIDWCXREQQ-UHFFFAOYSA-N
- Formula
- C20H30O4
- SMILES
-
CCCCCCOC(=O)CCCCC(=O)Oc1cccc(C
)c1C - Molecular Weight1
- 334.45
- 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 | 0.9732 | Relay (1.0) Calculated Property | |
| ΔfG° | -257.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -852.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.893 | Crippen Calculated Property | |
| McVol | 283.780 | ml/mol | McGowan Calculated Property |
| Pc | 1327.14 | kPa | Joback Calculated Property |
| Inp | 2482.00 | NIST | |
| Tboil | 633.49 | K | Relay (1.0) Calculated Property |
| Tc | 839.03 | K | Relay (1.0) Calculated Property |
| Tfus | 303.79 | K | Relay (1.0) Calculated Property |
| Vc | 1.061 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [877.09; 956.74] | J/mol×K | [846.22; 1047.10] | 
|
| Cp,gas | 877.09 | J/mol×K | 846.22 | Joback Calculated Property |
| Cp,gas | 893.13 | J/mol×K | 879.70 | Joback Calculated Property |
| Cp,gas | 908.05 | J/mol×K | 913.18 | Joback Calculated Property |
| Cp,gas | 921.85 | J/mol×K | 946.66 | Joback Calculated Property |
| Cp,gas | 934.55 | J/mol×K | 980.14 | Joback Calculated Property |
| Cp,gas | 946.18 | J/mol×K | 1013.62 | Joback Calculated Property |
| Cp,gas | 956.74 | J/mol×K | 1047.10 | Joback Calculated Property |
| η | [0.0000555; 0.0005107] | Pa×s | [510.94; 846.22] |
|
| η | 0.0005107 | Pa×s | 510.94 | Joback Calculated Property |
| η | 0.0002940 | Pa×s | 566.82 | Joback Calculated Property |
| η | 0.0001869 | Pa×s | 622.70 | Joback Calculated Property |
| η | 0.0001280 | Pa×s | 678.58 | Joback Calculated Property |
| η | 0.0000929 | Pa×s | 734.46 | Joback Calculated Property |
| η | 0.0000705 | Pa×s | 790.34 | Joback Calculated Property |
| η | 0.0000555 | Pa×s | 846.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, 2,3-dimethylphenyl hexyl ester.
Sources
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