Chemical Properties of 2,2,4-trimethyl-6-(1-oxo-3-phenylprop-2-enyl)cyclohexane-1,3,5-trione, enol form (champanone B)

2,2,4-trimethyl-6-(1-oxo-3-phenylprop-2-enyl)cyclohexane-1,3,5-trione, enol form (champanone B)

InChI
InChI=1S/C19H20O4/c1-18(2)15(21)14(16(22)19(3,4)17(18)23)13(20)11-10-12-8-6-5-7-9-12/h5-11,14H,1-4H3/b11-10+
InChI Key
APGSUBPMFNRCHM-ZHACJKMWSA-N
Formula
C19H20O4
SMILES
CC1(C)C(=O)C(C(=O)C=Cc2ccccc2)C(=O)C(C)(C)C1=O
Molecular Weight1
312.36
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Physical Properties

Property Value Unit Source
ω 0.5335 Relay (1.0) Calculated Property
ΔfG° -196.91 kJ/mol Joback Calculated Property
ΔfH°gas -485.34 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 20.72 kJ/mol Joback Calculated Property
ΔvapH° 88.75 kJ/mol Relay (1.0) Calculated Property
IE 8.20 eV Relay (1.0) Calculated Property
log10WS -4.15 Relay (1.0) Calculated Property
logPoct/wat 2.658 Crippen Calculated Property
McVol 245.930 ml/mol McGowan Calculated Property
Pc 1954.41 kPa Joback Calculated Property
Inp 2498.00 NIST
Tboil 626.08 K Relay (1.0) Calculated Property
Tc 886.93 K Relay (1.0) Calculated Property
Tfus 435.71 K Relay (1.0) Calculated Property
Vc 0.816 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [815.31; 960.76] J/mol×K [932.98; 1201.79] Show Hide
Cp,gas 815.31 J/mol×K 932.98 Joback Calculated Property
Cp,gas 838.43 J/mol×K 977.78 Joback Calculated Property
Cp,gas 861.64 J/mol×K 1022.58 Joback Calculated Property
Cp,gas 885.22 J/mol×K 1067.39 Joback Calculated Property
Cp,gas 909.42 J/mol×K 1112.19 Joback Calculated Property
Cp,gas 934.51 J/mol×K 1156.99 Joback Calculated Property
Cp,gas 960.76 J/mol×K 1201.79 Joback Calculated Property

Similar Compounds

2,2,4-trimethyl-5-cinnamoyl-1,3-cyclopentanedione. 2,2,4-trimethyl-5-cinnamoylcyclopent-4-ene-1,3-dione. 1-Nonen-3-one, 1-phenyl-. 1-Phenyldodec-1-en-3-one. 2,2,4,4-tetramethyl-6-(1-oxo-3-phenylprop-2-enyl)-cyclohexane-1,3,5-trione, enol form (champanone A). 5-Methyl-1-phenyl-1-hexen-3-one, trans. 1-(4-hydroxy-3-methoxyphenyl)tetradec-1-ene-3,5-dione. 1-(4-Hydroxy-3-methoxyphenyl)dodec-1-ene-3,5-dione. Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-3-(phenylmethylene)-. Oestrone, 6-dehydro, TFA. Estra-1,3,5(10),6-tetraen-17-one, 3-[(trimethylsilyl)oxy]-. 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,10a-hexahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1«alpha»,4a«beta»,10a«alpha»)]-. 13-Cinnamoyloxymultiflorine. 13-cis-Cinnamoyloxy-17-oxolupanine. 13«alpha»-trans-Cinnamoyloxylupanine.

Find more compounds similar to 2,2,4-trimethyl-6-(1-oxo-3-phenylprop-2-enyl)cyclohexane-1,3,5-trione, enol form (champanone B).

Sources

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