Chemical Properties of 3-Chloro-5,5-dimethylcyclohex-2-enone (CAS 17530-69-7)

3-Chloro-5,5-dimethylcyclohex-2-enone

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InChI
InChI=1S/C8H11ClO/c1-8(2)4-6(9)3-7(10)5-8/h3H,4-5H2,1-2H3
InChI Key
PJYTYJGMJDIKEJ-UHFFFAOYSA-N
Formula
C8H11ClO
SMILES
CC1(C)CC(=O)C=C(Cl)C1
Molecular Weight1
158.62
CAS
17530-69-7
Other Names
  • 3-Chloro-5,5-dimethyl-2-cyclohexen-1-one
  • 5,5-Dimethyl-3-chloro-2-cyclohexen-1-one
  • 3-Chloro-5,5-dimethyl-2-cyclohexenone
  • 5,5-Dimethyl-3-chlorocyclohex-2-enone
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Physical Properties

Property Value Unit Source
PAff 867.90 kJ/mol NIST
BasG 836.00 kJ/mol NIST
Δf -78.75 kJ/mol Joback Calculated Property
Δfgas -246.02 kJ/mol Joback Calculated Property
Δfus 6.55 kJ/mol Joback Calculated Property
Δvap 42.27 kJ/mol Joback Calculated Property
IE 9.35 eV NIST
log10WS -2.61 Crippen Calculated Property
logPoct/wat 2.498 Crippen Calculated Property
McVol 122.230 ml/mol McGowan Calculated Property
Pc 3392.03 kPa Joback Calculated Property
Tboil 511.62 K Joback Calculated Property
Tc 751.42 K Joback Calculated Property
Tfus 322.62 K Joback Calculated Property
Vc 0.457 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [259.16; 334.11] J/mol×K [511.62; 751.42] Show Hide
Cp,gas 259.16 J/mol×K 511.62 Joback Calculated Property
Cp,gas 273.55 J/mol×K 551.59 Joback Calculated Property
Cp,gas 287.04 J/mol×K 591.55 Joback Calculated Property
Cp,gas 299.74 J/mol×K 631.52 Joback Calculated Property
Cp,gas 311.75 J/mol×K 671.49 Joback Calculated Property
Cp,gas 323.17 J/mol×K 711.46 Joback Calculated Property
Cp,gas 334.11 J/mol×K 751.42 Joback Calculated Property

Similar Compounds

Isophorone. 2-Cyclohexenone,3-bromo,5,5-dimethyl-. 5,5-Dimethyl-1,3-cyclohexanedione. 2-Cyclohexen-1-one, 5-methyl-. dimetan. 2-Cyclohexen-1-one, 3,5,5-trimethyl-4-methylene. 2-Cyclohexen-1-one, 3-ethoxy-5,5-dimethyl-. Bicyclo[3.2.1]oct-2-ene, 3-chloro-. 4,6,8-Megastigmatrien-3-one, isomer # 2. (6E,8E)-4,6,8-megastigmatrien-3-one. (6Z,8Z)-4,6,8-megastigmatrien-3-one. (6E,8Z)-4,6,8-megastigmatrien-3-one. 4,6,8-Megastigmatrien-3-one, isomer # 1. megastigmatrien-3-one. (6Z,8E)-4,6,8-megastigmatrien-3-one.

Find more compounds similar to 3-Chloro-5,5-dimethylcyclohex-2-enone.

Sources

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