- InChI
- InChI=1S/C22H24O4/c1-17(2)7-6-16-25-21(23)14-15-22(24)26-20-12-10-19(11-13-20)18-8-4-3-5-9-18/h3-5,8-15,17H,6-7,16H2,1-2H3/b15-14+
- InChI Key
- LHWPMEHTNAVVFY-CCEZHUSRSA-N
- Formula
- C22H24O4
- SMILES
-
CC(C)CCCOC(=O)C=CC(=O)Oc1ccc(-
c2ccccc2)cc1 - Molecular Weight1
- 352.42
- 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° | -40.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -413.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.66 | kJ/mol | Joback Calculated Property |
| log10WS | -6.21 | Crippen Calculated Property | |
| logPoct/wat | 4.795 | Crippen Calculated Property | |
| McVol | 283.900 | ml/mol | McGowan Calculated Property |
| Pc | 1561.05 | kPa | Joback Calculated Property |
| Inp | [2899.00; 2899.00] |
|
|
| Inp | 2899.00 | NIST | |
| Inp | 2899.00 | NIST | |
| Tboil | 917.40 | K | Joback Calculated Property |
| Tc | 1146.55 | K | Joback Calculated Property |
| Tfus | 527.30 | K | Joback Calculated Property |
| Vc | 1.073 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [870.25; 937.38] | J/mol×K | [917.40; 1146.55] |
|
| Cp,gas | 870.25 | J/mol×K | 917.40 | Joback Calculated Property |
| Cp,gas | 884.38 | J/mol×K | 955.59 | Joback Calculated Property |
| Cp,gas | 897.25 | J/mol×K | 993.78 | Joback Calculated Property |
| Cp,gas | 908.92 | J/mol×K | 1031.98 | Joback Calculated Property |
| Cp,gas | 919.46 | J/mol×K | 1070.17 | Joback Calculated Property |
| Cp,gas | 928.92 | J/mol×K | 1108.36 | Joback Calculated Property |
| Cp,gas | 937.38 | J/mol×K | 1146.55 | Joback Calculated Property |
| η | [0.0000339; 0.0004295] | Pa×s | [527.30; 917.40] |
|
| η | 0.0004295 | Pa×s | 527.30 | Joback Calculated Property |
| η | 0.0002230 | Pa×s | 592.32 | Joback Calculated Property |
| η | 0.0001318 | Pa×s | 657.33 | Joback Calculated Property |
| η | 0.0000857 | Pa×s | 722.35 | Joback Calculated Property |
| η | 0.0000598 | Pa×s | 787.37 | Joback Calculated Property |
| η | 0.0000441 | Pa×s | 852.38 | Joback Calculated Property |
| η | 0.0000339 | Pa×s | 917.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, isohexyl 4-phenylphenyl ester.
Sources
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