- InChI
- InChI=1S/C20H30O4/c1-15(2)9-8-14-23-19(21)12-5-6-13-20(22)24-18-11-7-10-16(3)17(18)4/h7,10-11,15H,5-6,8-9,12-14H2,1-4H3
- InChI Key
- JCURSIBPEAEXOP-UHFFFAOYSA-N
- Formula
- C20H30O4
- SMILES
-
Cc1cccc(OC(=O)CCCCC(=O)OCCCC(C
)C)c1C - Molecular Weight1
- 334.45
- 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).
- 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° | -259.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -737.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.64 | kJ/mol | Joback Calculated Property |
| log10WS | -5.54 | Crippen Calculated Property | |
| logPoct/wat | 4.749 | Crippen Calculated Property | |
| McVol | 283.780 | ml/mol | McGowan Calculated Property |
| Pc | 1334.91 | kPa | Joback Calculated Property |
| Inp | [2443.00; 2443.00] |
|
|
| Inp | 2443.00 | NIST | |
| Inp | 2443.00 | NIST | |
| Tboil | 845.78 | K | Joback Calculated Property |
| Tc | 1048.38 | K | Joback Calculated Property |
| Tfus | 495.94 | K | Joback Calculated Property |
| Vc | 1.089 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [877.60; 957.55] | J/mol×K | [845.78; 1048.38] |
|
| Cp,gas | 877.60 | J/mol×K | 845.78 | Joback Calculated Property |
| Cp,gas | 893.77 | J/mol×K | 879.55 | Joback Calculated Property |
| Cp,gas | 908.78 | J/mol×K | 913.31 | Joback Calculated Property |
| Cp,gas | 922.65 | J/mol×K | 947.08 | Joback Calculated Property |
| Cp,gas | 935.39 | J/mol×K | 980.85 | Joback Calculated Property |
| Cp,gas | 947.02 | J/mol×K | 1014.62 | Joback Calculated Property |
| Cp,gas | 957.55 | J/mol×K | 1048.38 | Joback Calculated Property |
| η | [0.0000509; 0.0005710] | Pa×s | [495.94; 845.78] |
|
| η | 0.0005710 | Pa×s | 495.94 | Joback Calculated Property |
| η | 0.0003087 | Pa×s | 554.25 | Joback Calculated Property |
| η | 0.0001876 | Pa×s | 612.55 | Joback Calculated Property |
| η | 0.0001244 | Pa×s | 670.86 | Joback Calculated Property |
| η | 0.0000880 | Pa×s | 729.17 | Joback Calculated Property |
| η | 0.0000656 | Pa×s | 787.47 | Joback Calculated Property |
| η | 0.0000509 | Pa×s | 845.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, 2,3-dimethylphenyl isohexyl ester.
Sources
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