- InChI
- InChI=1S/C17H24O4/c1-5-13(4)11-21-17(19)15-8-6-7-14(9-15)16(18)20-10-12(2)3/h6-9,12-13H,5,10-11H2,1-4H3
- InChI Key
- APNZGUNPFPEHRO-UHFFFAOYSA-N
- Formula
- C17H24O4
- SMILES
-
CCC(C)COC(=O)c1cccc(C(=O)OCC(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° | -277.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -669.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.91 | kJ/mol | Joback Calculated Property |
| log10WS | -4.40 | Crippen Calculated Property | |
| logPoct/wat | 3.702 | Crippen Calculated Property | |
| McVol | 241.510 | ml/mol | McGowan Calculated Property |
| Pc | 1699.10 | kPa | Joback Calculated Property |
| Inp | [2132.00; 2132.00] |
|
|
| Inp | 2132.00 | NIST | |
| Inp | 2132.00 | NIST | |
| Tboil | 771.72 | K | Joback Calculated Property |
| Tc | 977.62 | K | Joback Calculated Property |
| Tfus | 434.61 | K | Joback Calculated Property |
| Vc | 0.915 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [705.43; 784.57] | J/mol×K | [771.72; 977.62] |
|
| Cp,gas | 705.43 | J/mol×K | 771.72 | Joback Calculated Property |
| Cp,gas | 721.28 | J/mol×K | 806.04 | Joback Calculated Property |
| Cp,gas | 736.04 | J/mol×K | 840.35 | Joback Calculated Property |
| Cp,gas | 749.74 | J/mol×K | 874.67 | Joback Calculated Property |
| Cp,gas | 762.38 | J/mol×K | 908.99 | Joback Calculated Property |
| Cp,gas | 773.98 | J/mol×K | 943.31 | Joback Calculated Property |
| Cp,gas | 784.57 | J/mol×K | 977.62 | Joback Calculated Property |
| η | [0.0000696; 0.0010554] | Pa×s | [434.61; 771.72] |
|
| η | 0.0010554 | Pa×s | 434.61 | Joback Calculated Property |
| η | 0.0005175 | Pa×s | 490.80 | Joback Calculated Property |
| η | 0.0002938 | Pa×s | 546.98 | Joback Calculated Property |
| η | 0.0001853 | Pa×s | 603.16 | Joback Calculated Property |
| η | 0.0001265 | Pa×s | 659.35 | Joback Calculated Property |
| η | 0.0000916 | Pa×s | 715.54 | Joback Calculated Property |
| η | 0.0000696 | Pa×s | 771.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, isobutyl 2-methylbutyl ester.
Sources
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