- InChI
- InChI=1S/C17H24O4/c1-6-20-16(18)13-8-7-9-14(10-13)17(19)21-15(11(2)3)12(4)5/h7-12,15H,6H2,1-5H3
- InChI Key
- MPJHXBDJBWTCBO-UHFFFAOYSA-N
- Formula
- C17H24O4
- SMILES
-
CCOC(=O)c1cccc(C(=O)OC(C(C)C)C
(C)C)c1 - Molecular Weight1
- 292.37
- 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° | -280.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -674.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.52 | kJ/mol | Joback Calculated Property |
| log10WS | -4.52 | Crippen Calculated Property | |
| logPoct/wat | 3.701 | Crippen Calculated Property | |
| McVol | 241.510 | ml/mol | McGowan Calculated Property |
| Pc | 1710.36 | kPa | Joback Calculated Property |
| Inp | 1962.00 | NIST | |
| Tboil | 771.28 | K | Joback Calculated Property |
| Tc | 980.14 | K | Joback Calculated Property |
| Tfus | 419.61 | K | Joback Calculated Property |
| Vc | 0.909 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [705.98; 785.88] | J/mol×K | [771.28; 980.14] | 
|
| Cp,gas | 705.98 | J/mol×K | 771.28 | Joback Calculated Property |
| Cp,gas | 722.05 | J/mol×K | 806.09 | Joback Calculated Property |
| Cp,gas | 737.00 | J/mol×K | 840.90 | Joback Calculated Property |
| Cp,gas | 750.84 | J/mol×K | 875.71 | Joback Calculated Property |
| Cp,gas | 763.59 | J/mol×K | 910.52 | Joback Calculated Property |
| Cp,gas | 775.27 | J/mol×K | 945.33 | Joback Calculated Property |
| Cp,gas | 785.88 | J/mol×K | 980.14 | Joback Calculated Property |
| η | [0.0000640; 0.0012619] | Pa×s | [419.61; 771.28] |
|
| η | 0.0012619 | Pa×s | 419.61 | Joback Calculated Property |
| η | 0.0005663 | Pa×s | 478.22 | Joback Calculated Property |
| η | 0.0003027 | Pa×s | 536.83 | Joback Calculated Property |
| η | 0.0001830 | Pa×s | 595.45 | Joback Calculated Property |
| η | 0.0001211 | Pa×s | 654.06 | Joback Calculated Property |
| η | 0.0000858 | Pa×s | 712.67 | Joback Calculated Property |
| η | 0.0000640 | Pa×s | 771.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, ethyl 1-isopropyl-2-methylpropyl ester.
Sources
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