Chemical Properties of 2-Propenoic acid, 3,3-diphenyl-2-(o-methoxyphenyl)- (CAS 5129-14-6)

2-Propenoic acid, 3,3-diphenyl-2-(o-methoxyphenyl)-

InChI
InChI=1S/C22H18O3/c1-25-19-15-9-8-14-18(19)21(22(23)24)20(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15H,1H3,(H,23,24)
InChI Key
RHDBQQXIWBILRU-UHFFFAOYSA-N
Formula
C22H18O3
SMILES
COc1ccccc1C(C(=O)O)=C(c1ccccc1)c1ccccc1
Molecular Weight1
330.38
CAS
5129-14-6
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Physical Properties

Property Value Unit Source
ω 0.8792 Relay (1.0) Calculated Property
ΔfH°gas -164.48 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 43.38 kJ/mol Joback Calculated Property
ΔvapH° 112.29 kJ/mol Relay (1.0) Calculated Property
IE 7.72 eV Relay (1.0) Calculated Property
log10WS -4.52 Relay (1.0) Calculated Property
logPoct/wat 4.739 Crippen Calculated Property
McVol 258.570 ml/mol McGowan Calculated Property
Pc 2032.72 kPa Joback Calculated Property
Tboil 691.50 K Relay (1.0) Calculated Property
Tc 1042.09 K Relay (1.0) Calculated Property
Tfus 421.46 K Relay (1.0) Calculated Property
Vc 0.904 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [318.29; 793.87] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-8.79900e+01
Coefficient B1.80502e+00
Coefficient C-1.24956e-03
Coefficient D3.26400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 318.29 J/mol×K 273.00 Calculated Property
Cp,gas 408.65 J/mol×K 353.78 Calculated Property
Cp,gas 487.21 J/mol×K 434.56 Calculated Property
Cp,gas 555.02 J/mol×K 515.33 Calculated Property
Cp,gas 613.11 J/mol×K 596.11 Calculated Property
Cp,gas 662.51 J/mol×K 676.89 Calculated Property
Cp,gas 704.26 J/mol×K 757.67 Calculated Property
Cp,gas 739.38 J/mol×K 838.44 Calculated Property
Cp,gas 768.90 J/mol×K 919.22 Calculated Property
Cp,gas 793.87 J/mol×K 1000.00 Calculated Property

Similar Compounds

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Sources

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