- 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.
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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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [359.11; 860.68] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -6.63370e+01 | |||
| Coefficient B | 1.87820e+00 | |||
| Coefficient C | -1.25408e-03 | |||
| Coefficient D | 3.02900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 359.11 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 454.58 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 537.88 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 609.97 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 671.81 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 724.34 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 768.54 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 805.36 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 835.75 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 860.68 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005519; 0.0000765] | Pa×s | [526.61; 813.53] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.31038e+01 | |||
| Coefficient B | 2.94982e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 526.61 | |||
| Temperature range, max. | 813.53 | |||
| η | 0.0005519 | Pa×s | 526.61 | Calculated Property |
| η | 0.0004008 | Pa×s | 558.49 | Calculated Property |
| η | 0.0003014 | Pa×s | 590.37 | Calculated Property |
| η | 0.0002333 | Pa×s | 622.25 | Calculated Property |
| η | 0.0001852 | Pa×s | 654.13 | Calculated Property |
| η | 0.0001502 | Pa×s | 686.01 | Calculated Property |
| η | 0.0001241 | Pa×s | 717.89 | Calculated Property |
| η | 0.0001042 | Pa×s | 749.77 | Calculated Property |
| η | 0.0000887 | Pa×s | 781.65 | Calculated Property |
| η | 0.0000765 | Pa×s | 813.53 | 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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