- InChI
- InChI=1S/C17H22O4/c1-4-7-14-8-5-6-9-15(14)21-17(19)11-10-16(18)20-12-13(2)3/h5-6,8-11,13H,4,7,12H2,1-3H3/b11-10+
- InChI Key
- DEKPJOQHODOEHC-ZHACJKMWSA-N
- Formula
- C17H22O4
- SMILES
-
CCCc1ccccc1OC(=O)C=CC(=O)OCC(C
)C - Molecular Weight1
- 290.35
- 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° | -195.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -546.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.26 | kJ/mol | Joback Calculated Property |
| log10WS | -3.99 | Crippen Calculated Property | |
| logPoct/wat | 3.300 | Crippen Calculated Property | |
| McVol | 237.210 | ml/mol | McGowan Calculated Property |
| Pc | 1762.45 | kPa | Joback Calculated Property |
| Inp | 2021.00 | NIST | |
| Tboil | 776.32 | K | Joback Calculated Property |
| Tc | 985.42 | K | Joback Calculated Property |
| Tfus | 444.53 | K | Joback Calculated Property |
| Vc | 0.901 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [679.89; 755.77] | J/mol×K | [776.32; 985.42] | 
|
| Cp,gas | 679.89 | J/mol×K | 776.32 | Joback Calculated Property |
| Cp,gas | 695.01 | J/mol×K | 811.17 | Joback Calculated Property |
| Cp,gas | 709.10 | J/mol×K | 846.02 | Joback Calculated Property |
| Cp,gas | 722.20 | J/mol×K | 880.87 | Joback Calculated Property |
| Cp,gas | 734.32 | J/mol×K | 915.72 | Joback Calculated Property |
| Cp,gas | 745.51 | J/mol×K | 950.57 | Joback Calculated Property |
| Cp,gas | 755.77 | J/mol×K | 985.42 | Joback Calculated Property |
| η | [0.0000656; 0.0008333] | Pa×s | [444.53; 776.32] |
|
| η | 0.0008333 | Pa×s | 444.53 | Joback Calculated Property |
| η | 0.0004315 | Pa×s | 499.83 | Joback Calculated Property |
| η | 0.0002548 | Pa×s | 555.13 | Joback Calculated Property |
| η | 0.0001655 | Pa×s | 610.42 | Joback Calculated Property |
| η | 0.0001155 | Pa×s | 665.72 | Joback Calculated Property |
| η | 0.0000852 | Pa×s | 721.02 | Joback Calculated Property |
| η | 0.0000656 | Pa×s | 776.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, isobutyl 2-propylphenyl ester.
Sources
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