Chemical Properties of 2,4,4-Trimethyl-3-(3-oxobutyl)cyclohex-2-enone (CAS 72008-46-9)

2,4,4-Trimethyl-3-(3-oxobutyl)cyclohex-2-enone

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InChI
InChI=1S/C13H20O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h5-8H2,1-4H3
InChI Key
QUHPCHDTFDSTTL-UHFFFAOYSA-N
Formula
C13H20O2
SMILES
CC(=O)CCC1=C(C)C(=O)CCC1(C)C
Molecular Weight1
208.30
CAS
72008-46-9
Other Names
  • 3-Oxo-7,8-dihydro-«beta»-ionol
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Physical Properties

Property Value Unit Source
Δf -163.27 kJ/mol Joback Calculated Property
Δfgas -457.53 kJ/mol Joback Calculated Property
Δfus 16.52 kJ/mol Joback Calculated Property
Δvap 56.42 kJ/mol Joback Calculated Property
log10WS -3.33 Crippen Calculated Property
logPoct/wat 3.061 Crippen Calculated Property
McVol 182.010 ml/mol McGowan Calculated Property
Pc 2241.88 kPa Joback Calculated Property
Inp [1675.00; 1731.00]   Show Hide
Inp 1731.00 NIST
Inp 1675.00 NIST
Inp 1695.00 NIST
Inp 1695.00 NIST
Inp 1731.00 NIST
I [2661.00; 2661.00]   Show Hide
I 2661.00 NIST
I 2661.00 NIST
Tboil 647.44 K Joback Calculated Property
Tc 869.76 K Joback Calculated Property
Tfus 411.50 K Joback Calculated Property
Vc 0.694 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [490.30; 585.43] J/mol×K [647.44; 869.76] Show Hide
Cp,gas 490.30 J/mol×K 647.44 Joback Calculated Property
Cp,gas 507.96 J/mol×K 684.49 Joback Calculated Property
Cp,gas 524.79 J/mol×K 721.55 Joback Calculated Property
Cp,gas 540.86 J/mol×K 758.60 Joback Calculated Property
Cp,gas 556.27 J/mol×K 795.65 Joback Calculated Property
Cp,gas 571.10 J/mol×K 832.70 Joback Calculated Property
Cp,gas 585.43 J/mol×K 869.76 Joback Calculated Property

Similar Compounds

cis-Megastigma-5,8-diene-4-one. Cis Megastigma-5,8-diene-4-one. 7-Isopropenyl-1,4a-dimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one. «alpha»-Cyperone. 2-Butanone, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-. 2,6,6-trimethyl-3-oxo-1-cyclohexene-1-carboxaldehyde. 1H-2-Indenone,2,4,5,6,7,7a-hexahydro-3-(1-methylethyl)-7a-methyl. 2-Cyclohexen-1-one, 3-(3-hydroxybutyl)-2,4,4-trimethyl-. 2(3H)-Naphthalenone,4,4a,5,6,7,8-hexahydro-4a-methyl-. (R)-(-)-4,4a,5,6,7,8-Hexahydro-4a-methyl-2(3H)-naphthalenone. Drim-8-en-7-one. Cyperotundone. Cyperorotundene. 4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-1,1,2,3,3-pentamethyl-. Spiro[8,8-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2,2'-cyclohexanone-1].

Find more compounds similar to 2,4,4-Trimethyl-3-(3-oxobutyl)cyclohex-2-enone.

Sources

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