- InChI
- InChI=1S/C20H30O4/c1-4-7-8-9-14-23-19(21)16-12-10-13-17(15-16)20(22)24-18(6-3)11-5-2/h10,12-13,15,18H,4-9,11,14H2,1-3H3
- InChI Key
- CJOYNWJJQNCTOU-UHFFFAOYSA-N
- Formula
- C20H30O4
- SMILES
-
CCCCCCOC(=O)c1cccc(C(=O)OC(CC)
CCC)c1 - 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° | -249.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -725.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.98 | kJ/mol | Joback Calculated Property |
| log10WS | -6.25 | Crippen Calculated Property | |
| logPoct/wat | 5.159 | Crippen Calculated Property | |
| McVol | 283.780 | ml/mol | McGowan Calculated Property |
| Pc | 1349.66 | kPa | Joback Calculated Property |
| Inp | 2441.00 | NIST | |
| Tboil | 840.80 | K | Joback Calculated Property |
| Tc | 1042.55 | K | Joback Calculated Property |
| Tfus | 483.42 | K | Joback Calculated Property |
| Vc | 1.089 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [878.24; 958.87] | J/mol×K | [840.80; 1042.55] | 
|
| Cp,gas | 878.24 | J/mol×K | 840.80 | Joback Calculated Property |
| Cp,gas | 894.49 | J/mol×K | 874.43 | Joback Calculated Property |
| Cp,gas | 909.59 | J/mol×K | 908.05 | Joback Calculated Property |
| Cp,gas | 923.56 | J/mol×K | 941.68 | Joback Calculated Property |
| Cp,gas | 936.41 | J/mol×K | 975.30 | Joback Calculated Property |
| Cp,gas | 948.18 | J/mol×K | 1008.93 | Joback Calculated Property |
| Cp,gas | 958.87 | J/mol×K | 1042.55 | Joback Calculated Property |
| η | [0.0000502; 0.0006723] | Pa×s | [483.42; 840.80] |
|
| η | 0.0006723 | Pa×s | 483.42 | Joback Calculated Property |
| η | 0.0003442 | Pa×s | 542.98 | Joback Calculated Property |
| η | 0.0002012 | Pa×s | 602.55 | Joback Calculated Property |
| η | 0.0001295 | Pa×s | 662.11 | Joback Calculated Property |
| η | 0.0000897 | Pa×s | 721.67 | Joback Calculated Property |
| η | 0.0000656 | Pa×s | 781.24 | Joback Calculated Property |
| η | 0.0000502 | Pa×s | 840.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, hexyl hex-3-yl ester.
Sources
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