- InChI
- InChI=1S/C20H20O5/c1-2-14-23-19(21)12-13-20(22)24-15-16-8-10-18(11-9-16)25-17-6-4-3-5-7-17/h3-13H,2,14-15H2,1H3/b13-12+
- InChI Key
- IECBZSDCEITCPF-OUKQBFOZSA-N
- Formula
- C20H20O5
- SMILES
-
CCCOC(=O)C=CC(=O)OCc1ccc(Oc2cc
ccc2)cc1 - Molecular Weight1
- 340.37
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8617 | Relay (1.0) Calculated Property | |
| ΔfG° | -159.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -627.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.031 | Crippen Calculated Property | |
| McVol | 261.590 | ml/mol | McGowan Calculated Property |
| Pc | 1789.39 | kPa | Joback Calculated Property |
| Inp | 2606.00 | NIST | |
| Tboil | 670.92 | K | Relay (1.0) Calculated Property |
| Tc | 896.91 | K | Relay (1.0) Calculated Property |
| Tfus | 314.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.936 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [780.88; 840.93] | J/mol×K | [894.50; 1123.16] | 
|
| Cp,gas | 780.88 | J/mol×K | 894.50 | Joback Calculated Property |
| Cp,gas | 793.98 | J/mol×K | 932.61 | Joback Calculated Property |
| Cp,gas | 805.79 | J/mol×K | 970.72 | Joback Calculated Property |
| Cp,gas | 816.35 | J/mol×K | 1008.83 | Joback Calculated Property |
| Cp,gas | 825.70 | J/mol×K | 1046.94 | Joback Calculated Property |
| Cp,gas | 833.88 | J/mol×K | 1085.05 | Joback Calculated Property |
| Cp,gas | 840.93 | J/mol×K | 1123.16 | Joback Calculated Property |
| η | [0.0000368; 0.0003370] | Pa×s | [541.99; 894.50] |
|
| η | 0.0003370 | Pa×s | 541.99 | Joback Calculated Property |
| η | 0.0001946 | Pa×s | 600.74 | Joback Calculated Property |
| η | 0.0001239 | Pa×s | 659.49 | Joback Calculated Property |
| η | 0.0000849 | Pa×s | 718.25 | Joback Calculated Property |
| η | 0.0000616 | Pa×s | 777.00 | Joback Calculated Property |
| η | 0.0000468 | Pa×s | 835.75 | Joback Calculated Property |
| η | 0.0000368 | Pa×s | 894.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 4-phenoxybenzyl propyl ester.
Sources
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