- 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=C/C(=O)OCc1ccc2ccccc2c1
)OCCc1ccccc1 - Molecular Weight1
- 360.41
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 48.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 136.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.34 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.225 | Crippen Calculated Property | |
| McVol | 278.530 | ml/mol | McGowan Calculated Property |
| Inp | [3080.00; 3080.00] |
|
|
| Inp | 3080.00 | NIST | |
| Inp | 3080.00 | NIST | |
| Tboil | 725.12 | K | Relay (1.0) Calculated Property |
| Tfus | 352.88 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [837.29; 898.10] | J/mol×K | [923.76; 1162.19] |
|
| Cp,gas | 837.29 | J/mol×K | 923.76 | Joback Calculated Property |
| Cp,gas | 850.03 | J/mol×K | 963.50 | Joback Calculated Property |
| Cp,gas | 861.58 | J/mol×K | 1003.24 | Joback Calculated Property |
| Cp,gas | 872.05 | J/mol×K | 1042.98 | Joback Calculated Property |
| Cp,gas | 881.55 | J/mol×K | 1082.71 | Joback Calculated Property |
| Cp,gas | 890.19 | J/mol×K | 1122.45 | Joback Calculated Property |
| Cp,gas | 898.10 | J/mol×K | 1162.19 | Joback Calculated Property |
| η | [0.0000497; 0.0005519] | Pa×s | [526.61; 923.76] |
|
| η | 0.0005519 | Pa×s | 526.61 | Joback Calculated Property |
| η | 0.0002952 | Pa×s | 592.80 | Joback Calculated Property |
| η | 0.0001791 | Pa×s | 658.99 | Joback Calculated Property |
| η | 0.0001190 | Pa×s | 725.18 | Joback Calculated Property |
| η | 0.0000847 | Pa×s | 791.38 | Joback Calculated Property |
| η | 0.0000635 | Pa×s | 857.57 | Joback Calculated Property |
| η | 0.0000497 | Pa×s | 923.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-phenethyl naphth-2-ylmethyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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