Chemical Properties of (2E,4E)-5-(Benzo[d][1,3]dioxol-5-yl)-N-isobutylpenta-2,4-dienamide (CAS 5950-12-9)

(2E,4E)-5-(Benzo[d][1,3]dioxol-5-yl)-N-isobutylpenta-2,4-dienamide

InChI
InChI=1S/C16H19NO3/c1-12(2)10-17-16(18)6-4-3-5-13-7-8-14-15(9-13)20-11-19-14/h3-9,12H,10-11H2,1-2H3,(H,17,18)/b5-3+,6-4+
InChI Key
WHAAPCGHVWVUEX-GGWOSOGESA-N
Formula
C16H19NO3
SMILES
CC(C)CNC(=O)C=CC=Cc1ccc2c(c1)OCO2
Molecular Weight1
273.33
CAS
5950-12-9
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Physical Properties

Property Value Unit Source
ΔfusH° 47.06 kJ/mol Joback Calculated Property
log10WS -4.44 Relay (1.0) Calculated Property
logPoct/wat 2.757 Crippen Calculated Property
McVol 216.370 ml/mol McGowan Calculated Property
Inp [2626.00; 2667.70]   Show Hide
Inp 2667.70 NIST
Inp 2626.00 NIST
Inp 2667.70 NIST
Inp 2626.00 NIST
Tboil 632.08 K Relay (1.0) Calculated Property
Tfus 404.41 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 [290.55; 697.58] 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-6.23990e+01
Coefficient B1.59144e+00
Coefficient C-1.19222e-03
Coefficient D3.60760e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 290.55 J/mol×K 273.00 Calculated Property
Cp,gas 367.37 J/mol×K 353.78 Calculated Property
Cp,gas 433.64 J/mol×K 434.56 Calculated Property
Cp,gas 490.48 J/mol×K 515.33 Calculated Property
Cp,gas 539.04 J/mol×K 596.11 Calculated Property
Cp,gas 580.46 J/mol×K 676.89 Calculated Property
Cp,gas 615.89 J/mol×K 757.67 Calculated Property
Cp,gas 646.46 J/mol×K 838.44 Calculated Property
Cp,gas 673.31 J/mol×K 919.22 Calculated Property
Cp,gas 697.58 J/mol×K 1000.00 Calculated Property

Similar Compounds

Pyrrolidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-, (E,E)-. Piperine. Chavicine. (2E,4E,6E)-7-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)hepta-2,4,6-trien-1-one. (2E,4E,8E)-9-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)nona-2,4,8-trien-1-one. (2E,4E,8E)-9-(Benzo[d][1,3]dioxol-5-yl)-1-(pyrrolidin-1-yl)nona-2,4,8-trien-1-one. (2E,4E,10E)-11-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)undeca-2,4,10-trien-1-one. (E)-5-(Benzo[d][1,3]dioxol-5-yl)-N-isobutylpent-2-enamide. (2E,6E)-7-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)hepta-2,6-dien-1-one. Morphinan-3-ol, 4,5-epoxy-17-methyl-, (5.alpha.)-. (2E,10E)-11-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)undeca-2,10-dien-1-one. (2E,8E)-9-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)nona-2,8-dien-1-one. Pinacol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. 5-Hydroxytryptophan, methyl, 3-PFP. (2S,3S)-Butane-2,3-diol, 2-(N,N-dimethylaminomethyl)-ferroceneboronate.

Find more compounds similar to (2E,4E)-5-(Benzo[d][1,3]dioxol-5-yl)-N-isobutylpenta-2,4-dienamide.

Sources

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