Chemical Properties of 3,4-Dioxymethylenebenzylidene-p-chlorophenylacetonitrile

3,4-Dioxymethylenebenzylidene-p-chlorophenylacetonitrile

InChI
InChI=1S/C16H10ClNO2/c17-14-4-2-12(3-5-14)13(9-18)7-11-1-6-15-16(8-11)20-10-19-15/h1-8H,10H2/b13-7+
InChI Key
DLQRXFJDEIGQFF-NTUHNPAUSA-N
Formula
C16H10ClNO2
SMILES
N#C/C(=C\c1ccc2c(c1)OCO2)c1ccc(Cl)cc1
Molecular Weight1
283.71
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Physical Properties

Property Value Unit Source
ΔcH°solid -7675.50 kJ/mol NIST
ΔfusH° 41.73 kJ/mol Joback Calculated Property
log10WS -5.92 Relay (1.0) Calculated Property
logPoct/wat 4.133 Crippen Calculated Property
McVol 198.980 ml/mol McGowan Calculated Property
Tboil 678.46 K Relay (1.0) Calculated Property
Tfus 396.97 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 [247.99; 564.63] 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-4.20900e+01
Coefficient B1.32040e+00
Coefficient C-1.03118e-03
Coefficient D3.17500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 247.99 J/mol×K 273.00 Calculated Property
Cp,gas 310.04 J/mol×K 353.78 Calculated Property
Cp,gas 363.02 J/mol×K 434.56 Calculated Property
Cp,gas 407.96 J/mol×K 515.33 Calculated Property
Cp,gas 445.84 J/mol×K 596.11 Calculated Property
Cp,gas 477.68 J/mol×K 676.89 Calculated Property
Cp,gas 504.47 J/mol×K 757.67 Calculated Property
Cp,gas 527.22 J/mol×K 838.44 Calculated Property
Cp,gas 546.94 J/mol×K 919.22 Calculated Property
Cp,gas 564.63 J/mol×K 1000.00 Calculated Property

Similar Compounds

3,4-Dioxymethylenebenzylidenephenylacetonitrile. p-Methoxybenzylidene-p-chlorophenylacetonitrile. (E)-9-(Benzo[d][1,3]dioxol-5-yl)-1-(pyrrolidin-1-yl)non-8-en-1-one. (2E,4E,8E)-9-(Benzo[d][1,3]dioxol-5-yl)-N-isobutylnona-2,4,8-trienamide. (E)-11-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)undec-10-en-1-one. (E)-9-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)non-8-en-1-one. (E)-7-(Benzo[d][1,3]dioxol-5-yl)-1-(pyrrolidin-1-yl)hept-6-en-1-one. (2E,4E,12E)-13-(Benzo[d][1,3]dioxol-5-yl)-N-isobutyltrideca-2,4,12-trienamide. N-Isobutyl-11-(3,4-methylenedioxyphenyl)-2E,4E,10E-undecatrienoic amide. (E)-7-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)hept-6-en-1-one. (2E,10E)-11-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)undeca-2,10-dien-1-one. (E)-3-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)prop-2-en-1-one. (2E,8E)-9-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)nona-2,8-dien-1-one. Feruloyllupinine. Feruloyliupinine.

Find more compounds similar to 3,4-Dioxymethylenebenzylidene-p-chlorophenylacetonitrile.

Sources

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