- InChI
- InChI=1S/C23H20O4/c24-22(26-15-14-18-6-2-1-3-7-18)12-13-23(25)27-17-19-10-11-20-8-4-5-9-21(20)16-19/h1-13,16H,14-15,17H2/b13-12+
- InChI Key
- HGKOZGMNGATSAG-OUKQBFOZSA-N
- Formula
- C23H20O4
- SMILES
-
O=C(C=CC(=O)OCc1ccc2ccccc2c1)O
CCc1ccccc1 - Molecular Weight1
- 360.40
- 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° | 77.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -237.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.92 | kJ/mol | Joback Calculated Property |
| log10WS | -5.86 | Crippen Calculated Property | |
| logPoct/wat | 4.225 | Crippen Calculated Property | |
| McVol | 278.530 | ml/mol | McGowan Calculated Property |
| Pc | 1750.67 | kPa | Joback Calculated Property |
| Inp | [3080.00; 3080.00] |
|
|
| Inp | 3080.00 | NIST | |
| Inp | 3080.00 | NIST | |
| Tboil | 959.70 | K | Joback Calculated Property |
| Tc | 1201.68 | K | Joback Calculated Property |
| Tfus | 586.27 | K | Joback Calculated Property |
| Vc | 1.058 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [846.64; 910.73] | J/mol×K | [959.70; 1201.68] |
|
| Cp,gas | 846.64 | J/mol×K | 959.70 | Joback Calculated Property |
| Cp,gas | 859.51 | J/mol×K | 1000.03 | Joback Calculated Property |
| Cp,gas | 871.35 | J/mol×K | 1040.36 | Joback Calculated Property |
| Cp,gas | 882.28 | J/mol×K | 1080.69 | Joback Calculated Property |
| Cp,gas | 892.41 | J/mol×K | 1121.02 | Joback Calculated Property |
| Cp,gas | 901.86 | J/mol×K | 1161.35 | Joback Calculated Property |
| Cp,gas | 910.73 | J/mol×K | 1201.68 | Joback Calculated Property |
| η | [0.0000667; 0.0004595] | Pa×s | [586.27; 959.70] |
|
| η | 0.0004595 | Pa×s | 586.27 | Joback Calculated Property |
| η | 0.0002855 | Pa×s | 648.51 | Joback Calculated Property |
| η | 0.0001928 | Pa×s | 710.75 | Joback Calculated Property |
| η | 0.0001387 | Pa×s | 772.99 | Joback Calculated Property |
| η | 0.0001048 | Pa×s | 835.22 | Joback Calculated Property |
| η | 0.0000823 | Pa×s | 897.46 | Joback Calculated Property |
| η | 0.0000667 | Pa×s | 959.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-phenethyl naphth-2-ylmethyl ester.
Sources
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