- InChI
- InChI=1S/C24H22O4/c25-23(27-16-6-9-19-7-2-1-3-8-19)14-15-24(26)28-18-20-12-13-21-10-4-5-11-22(21)17-20/h1-5,7-8,10-15,17H,6,9,16,18H2/b15-14+
- InChI Key
- HSTLOZLMFWXKTN-CCEZHUSRSA-N
- Formula
- C24H22O4
- SMILES
-
O=C(C=CC(=O)OCc1ccc2ccccc2c1)O
CCCc1ccccc1 - Molecular Weight1
- 374.43
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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 | 0.8937 | Relay (1.0) Calculated Property | |
| ΔfusH° | 51.57 | kJ/mol | Joback Calculated Property |
| IE | 8.36 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.615 | Crippen Calculated Property | |
| McVol | 292.620 | ml/mol | McGowan Calculated Property |
| Pc | 1516.39 | kPa | Joback Calculated Property |
| Inp | [3167.00; 3167.00] |
|
|
| Inp | 3167.00 | NIST | |
| Inp | 3167.00 | NIST | |
| Tboil | 731.99 | K | Relay (1.0) Calculated Property |
| Tc | 1016.30 | K | Relay (1.0) Calculated Property |
| Tfus | 346.98 | K | Relay (1.0) Calculated Property |
| Vc | 1.048 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, 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 | [380.32; 912.27] | 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 | -6.72460e+01 | |||
| Coefficient B | 1.97320e+00 | |||
| Coefficient C | -1.30848e-03 | |||
| Coefficient D | 3.14800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 380.32 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 481.00 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 568.96 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 645.20 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 710.72 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 766.50 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 813.56 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 852.87 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 885.45 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 912.27 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004978; 0.0000685] | Pa×s | [537.88; 828.22] |
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 | -1.32646e+01 | |||
| Coefficient B | 3.04398e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 537.88 | |||
| Temperature range, max. | 828.22 | |||
| η | 0.0004978 | Pa×s | 537.88 | Calculated Property |
| η | 0.0003614 | Pa×s | 570.14 | Calculated Property |
| η | 0.0002715 | Pa×s | 602.40 | Calculated Property |
| η | 0.0002100 | Pa×s | 634.66 | Calculated Property |
| η | 0.0001665 | Pa×s | 666.92 | Calculated Property |
| η | 0.0001349 | Pa×s | 699.18 | Calculated Property |
| η | 0.0001113 | Pa×s | 731.44 | Calculated Property |
| η | 0.0000934 | Pa×s | 763.70 | Calculated Property |
| η | 0.0000795 | Pa×s | 795.96 | Calculated Property |
| η | 0.0000685 | Pa×s | 828.22 | Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3-phenylpropyl naphth-2-ylmethyl ester.
Sources
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