Chemical Properties of 3-phenylprop-2-enyl 2-aminobenzoate

3-phenylprop-2-enyl 2-aminobenzoate

InChI
InChI=1S/C16H15NO2/c17-15-11-5-4-10-14(15)16(18)19-12-6-9-13-7-2-1-3-8-13/h1-11H,12,17H2
InChI Key
GABQNAFEZZDSCM-UHFFFAOYSA-N
Formula
C16H15NO2
SMILES
Nc1ccccc1C(=O)OCC=Cc1ccccc1
Molecular Weight1
253.30
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Physical Properties

Property Value Unit Source
ΔfH°gas -120.86 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 34.66 kJ/mol Joback Calculated Property
IE 7.55 eV Relay (1.0) Calculated Property
log10WS -6.04 Aq. Solubility Prediction
logPoct/wat 3.139 Crippen Calculated Property
McVol 201.900 ml/mol McGowan Calculated Property
Tboil 647.45 K Relay (1.0) Calculated Property
Tfus 342.15 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [551.25; 619.26] J/mol×K [758.93; 1005.27] Show Hide
Cp,gas 551.25 J/mol×K 758.93 Joback Calculated Property
Cp,gas 565.49 J/mol×K 799.99 Joback Calculated Property
Cp,gas 578.45 J/mol×K 841.04 Joback Calculated Property
Cp,gas 590.23 J/mol×K 882.10 Joback Calculated Property
Cp,gas 600.89 J/mol×K 923.15 Joback Calculated Property
Cp,gas 610.54 J/mol×K 964.21 Joback Calculated Property
Cp,gas 619.26 J/mol×K 1005.27 Joback Calculated Property

Similar Compounds

(Z)-Cinnamyl benzoate. (E)-Cinnamyl benzoate. cinnamyl benzoate. Benzoic acid, 2-amino-, 2-propenyl ester. Cinnamoylcocaine. 7-tiglyl echinatine, diTMS, dihydro. 7-angelyl echinatine, diTMS, dihydro. cis-Phenanthrene, 9,10-dihydro-9-methyl-9,10-diol, 3-methoxy, butylboronate. Scopolamine. cis-Phenanthrene, 9,10-dihydro-9-methyl-9,10-diol, butylboronate. Aposcopolamine. Methylscopolamine. Poligodial + p-Tyr (ethyl ester) adduct (S), acetylated, # 2. Poligodial + o-Tyr (ethyl ester) adduct (R,S). 6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-one, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, (4aS,8aS)-.

Find more compounds similar to 3-phenylprop-2-enyl 2-aminobenzoate.

Sources

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