Chemical Properties of 4-Dichloromethyl-4-methyl-2,5-cyclohexadien-1-one (CAS 6611-78-5)

4-Dichloromethyl-4-methyl-2,5-cyclohexadien-1-one

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InChI
InChI=1S/C8H8Cl2O/c1-8(7(9)10)4-2-6(11)3-5-8/h2-5,7H,1H3
InChI Key
MJRRCEHODULPAV-UHFFFAOYSA-N
Formula
C8H8Cl2O
SMILES
CC1(C(Cl)Cl)C=CC(=O)C=C1
Molecular Weight1
191.06
CAS
6611-78-5
Other Names
  • 4-Dichloromethyl-4-methyl-2,5-cyclohexadienone
  • 2,5-Cyclohexadien-1-one, 4-(dichloromethyl)-4-methyl-
  • 6-Dichloromethyl-6-methyl-1,4--cyclohexadien-3-one
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Physical Properties

Property Value Unit Source
ΔcH°solid -4130.20 kJ/mol NIST
ΔfG° -53.53 kJ/mol Joback Calculated Property
ΔfH°gas -197.79 kJ/mol Joback Calculated Property
ΔfusH° 8.84 kJ/mol Joback Calculated Property
ΔvapH° 45.89 kJ/mol Joback Calculated Property
log10WS -2.72 Crippen Calculated Property
logPoct/wat 2.491 Crippen Calculated Property
McVol 130.170 ml/mol McGowan Calculated Property
Pc 3480.65 kPa Joback Calculated Property
Tboil 542.79 K Joback Calculated Property
Tc 794.55 K Joback Calculated Property
Tfus 325.78 K Joback Calculated Property
Vc 0.485 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [266.99; 332.70] J/mol×K [542.79; 794.55] Show Hide
Cp,gas 266.99 J/mol×K 542.79 Joback Calculated Property
Cp,gas 279.83 J/mol×K 584.75 Joback Calculated Property
Cp,gas 291.73 J/mol×K 626.71 Joback Calculated Property
Cp,gas 302.83 J/mol×K 668.67 Joback Calculated Property
Cp,gas 313.27 J/mol×K 710.63 Joback Calculated Property
Cp,gas 323.18 J/mol×K 752.59 Joback Calculated Property
Cp,gas 332.70 J/mol×K 794.55 Joback Calculated Property

Similar Compounds

2,5-Cyclohexadien-1-one, 3,4,4-trimethyl-. 2,5-Cyclohexadien-1-one, 4-ethyl-3,4-dimethyl-. 4-(2,4,4-Trimethyl-cyclohexa-1,5-dienyl)-but-3-en-2-one. 2,2,6-Trimethyl-6-vinyl dihydropyran-3-one. 11,12,13-tri-nor-cis-Eudesma-5,8-dien-7-one. tert-Butyl-p-benzoquinone. 2,6,10-Cycloundecatrien-1-one, 2,6,9,9-tetramethyl-, (E,E,E)-. 3-Buten-2-one, 4-(1,2,6,6-tetramethyl-2-cyclohexen-1-yl)-. 2,3-Dehydro-4-oxo-«beta»-ionol. Zerumbodienone. 3,4,7,7-tetramethylcyclohepta-1,3,5-triene. 4-Heptenoic acid, 3,3-dimethyl-6-oxo-, methyl ester. 4-(2,7,7-Trimethylbicyclo[3.2.1]hept-2-en-1-yl]but-3-en-2-one. 4-(2,7,7-Trimethylbicyclo[3.2.0]hept-2-en-1-yl)but-3-en-2-one. 3,3,6-Trimethyl-1,4-heptadien-6-ol.

Find more compounds similar to 4-Dichloromethyl-4-methyl-2,5-cyclohexadien-1-one.

Sources

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