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
ω 0.7009 Relay (1.0) Calculated Property
ΔfG° 191.68 kJ/mol Joback Calculated Property
ΔfH°gas -359.30 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 47.06 kJ/mol Joback Calculated Property
ΔvapH° 93.50 kJ/mol Relay (1.0) Calculated Property
IE 7.71 eV Relay (1.0) 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
Pc 2224.99 kPa Joback 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
Tc 877.02 K Relay (1.0) Calculated Property
Tfus 410.64 K Relay (1.0) Calculated Property
Vc 0.765 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [624.52; 698.95] J/mol×K [779.35; 1004.73] Show Hide
Cp,gas 624.52 J/mol×K 779.35 Joback Calculated Property
Cp,gas 638.72 J/mol×K 816.91 Joback Calculated Property
Cp,gas 652.04 J/mol×K 854.48 Joback Calculated Property
Cp,gas 664.62 J/mol×K 892.04 Joback Calculated Property
Cp,gas 676.55 J/mol×K 929.61 Joback Calculated Property
Cp,gas 687.95 J/mol×K 967.17 Joback Calculated Property
Cp,gas 698.95 J/mol×K 1004.73 Joback 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. Desomorphine. (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. (2S,3S)-Butane-2,3-diol, 2-(N,N-dimethylaminomethyl)-ferroceneboronate. 5-Hydroxytryptophan, methyl, 3-PFP. Pinacol, , 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.

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