Chemical Properties of Benzenepropanoic acid, «beta»-oxo-«alpha»-(phenylmethylene)-, ethyl ester (CAS 17451-18-2)

Benzenepropanoic acid, «beta»-oxo-«alpha»-(phenylmethylene)-, ethyl ester

InChI
InChI=1S/C18H16O3/c1-2-21-18(20)16(13-14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15/h3-13H,2H2,1H3/b16-13+
InChI Key
BHKXLHNAIARBLO-DTQAZKPQSA-N
Formula
C18H16O3
SMILES
CCOC(=O)C(=Cc1ccccc1)C(=O)c1ccccc1
Molecular Weight1
280.32
CAS
17451-18-2
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Physical Properties

Property Value Unit Source
ω 0.6513 Relay (1.0) Calculated Property
ΔfH°gas -274.57 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 33.74 kJ/mol Joback Calculated Property
ΔvapH° 89.91 kJ/mol Relay (1.0) Calculated Property
IE 8.66 eV Relay (1.0) Calculated Property
log10WS -4.29 Relay (1.0) Calculated Property
logPoct/wat 3.516 Crippen Calculated Property
McVol 221.670 ml/mol McGowan Calculated Property
Pc 2229.20 kPa Joback Calculated Property
Tboil 653.28 K Relay (1.0) Calculated Property
Tc 892.28 K Relay (1.0) Calculated Property
Tfus 318.79 K Relay (1.0) Calculated Property

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [616.40; 685.76] J/mol×K [798.80; 1040.45] Show Hide
Cp,gas 616.40 J/mol×K 798.80 Joback Calculated Property
Cp,gas 630.70 J/mol×K 839.08 Joback Calculated Property
Cp,gas 643.79 J/mol×K 879.35 Joback Calculated Property
Cp,gas 655.75 J/mol×K 919.63 Joback Calculated Property
Cp,gas 666.67 J/mol×K 959.90 Joback Calculated Property
Cp,gas 676.64 J/mol×K 1000.18 Joback Calculated Property
Cp,gas 685.76 J/mol×K 1040.45 Joback Calculated Property

Similar Compounds

2-(3,4-DIMETHOXYBENZYLIDENE)-1,3-INDANDIONE. Glycine-threonine-phenylalanine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative. 13-cis-Cinnamoyloxy-17-oxolupanine. Mephedrone M (Ar-carboxy, dihydro), 3Ac. Doronenine. 13-Cis-cinnamoyloxylupanine. 13-Trans-cinnamoyloxylupanine. tryptophan, trifluoroacetyl-isopropyl ester. Serine-lysine-tyrosine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative. Metergoline. 5-Hydroxytryptophan, methyl, 3-PFP. 6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-one, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, (4aS,8aS)-. narwedine. Valine-glutamine-tryptophan-leucine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative. 9,10-Dihydrophenanthrene-cis-9,10-diol, ferrocenylboronate.

Find more compounds similar to Benzenepropanoic acid, «beta»-oxo-«alpha»-(phenylmethylene)-, ethyl ester.

Sources

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