- InChI
- InChI=1S/C21H22O4/c1-2-3-7-16-24-20(22)14-15-21(23)25-19-12-10-18(11-13-19)17-8-5-4-6-9-17/h4-6,8-15H,2-3,7,16H2,1H3/b15-14+
- InChI Key
- JOXTZHCATSAEFL-CCEZHUSRSA-N
- Formula
- C21H22O4
- SMILES
-
CCCCCOC(=O)C=CC(=O)Oc1ccc(-c2c
cccc2)cc1 - Molecular Weight1
- 338.40
- 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° | -46.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -387.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.82 | kJ/mol | Joback Calculated Property |
| log10WS | -6.03 | Crippen Calculated Property | |
| logPoct/wat | 4.549 | Crippen Calculated Property | |
| McVol | 269.810 | ml/mol | McGowan Calculated Property |
| Pc | 1675.53 | kPa | Joback Calculated Property |
| Inp | 2830.00 | NIST | |
| Tboil | 894.96 | K | Joback Calculated Property |
| Tc | 1122.90 | K | Joback Calculated Property |
| Tfus | 531.03 | K | Joback Calculated Property |
| Vc | 1.024 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [811.56; 878.01] | J/mol×K | [894.96; 1122.90] | 
|
| Cp,gas | 811.56 | J/mol×K | 894.96 | Joback Calculated Property |
| Cp,gas | 825.47 | J/mol×K | 932.95 | Joback Calculated Property |
| Cp,gas | 838.17 | J/mol×K | 970.94 | Joback Calculated Property |
| Cp,gas | 849.72 | J/mol×K | 1008.93 | Joback Calculated Property |
| Cp,gas | 860.16 | J/mol×K | 1046.92 | Joback Calculated Property |
| Cp,gas | 869.57 | J/mol×K | 1084.91 | Joback Calculated Property |
| Cp,gas | 878.01 | J/mol×K | 1122.90 | Joback Calculated Property |
| η | [0.0000427; 0.0004304] | Pa×s | [531.03; 894.96] |
|
| η | 0.0004304 | Pa×s | 531.03 | Joback Calculated Property |
| η | 0.0002404 | Pa×s | 591.68 | Joback Calculated Property |
| η | 0.0001497 | Pa×s | 652.34 | Joback Calculated Property |
| η | 0.0001010 | Pa×s | 713.00 | Joback Calculated Property |
| η | 0.0000725 | Pa×s | 773.65 | Joback Calculated Property |
| η | 0.0000546 | Pa×s | 834.31 | Joback Calculated Property |
| η | 0.0000427 | Pa×s | 894.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, pentyl 4-phenylphenyl ester.
Sources
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