Chemical Properties of 3-Buten-2-one, 4-(2,5,6,6-tetramethyl-1-cyclohexen-1-yl)- (CAS 79-70-9)

3-Buten-2-one, 4-(2,5,6,6-tetramethyl-1-cyclohexen-1-yl)-

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InChI
InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h8-9,11H,6-7H2,1-5H3/b9-8+
InChI Key
BGKCUGPVLVNPSG-CMDGGOBGSA-N
Formula
C14H22O
SMILES
CC(=O)C=CC1=C(C)CCC(C)C1(C)C
Molecular Weight1
206.32
CAS
79-70-9
Other Names
  • «beta»-Irone
  • 6-Methyl-«beta»-ionone
  • «beta»-Methylionone
  • 2-Methyl-«beta»-ionone
  • beta-Irone
  • «beta»-Ionone, 6-methyl-
  • NSC 402758
  • 4-(2,6,6-Trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one
  • 4-(2,5,6,6-tetramethyl-1-cyclohexen-1-yl)-3-buten-2-one

Physical Properties

Property Value Unit Source
Δf 40.25 kJ/mol Joback Calculated Property
Δfgas -243.59 kJ/mol Joback Calculated Property
Δfus 20.87 kJ/mol Joback Calculated Property
Δvap 54.05 kJ/mol Joback Calculated Property
log10WS -4.08 Crippen Calculated Property
logPoct/wat 3.904 Crippen Calculated Property
McVol 190.230 ml/mol McGowan Calculated Property
Pc 2021.76 kPa Joback Calculated Property
Inp [1519.00; 1583.40]   Show Hide
Inp 1566.00 NIST
Inp 1519.00 NIST
Inp 1583.40 NIST
Tboil 601.99 K Joback Calculated Property
Tc 817.25 K Joback Calculated Property
Tfus 345.23 K Joback Calculated Property
Vc 0.722 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [489.38; 589.67] J/mol×K [601.99; 817.25] Show Hide
Cp,gas 489.38 J/mol×K 601.99 Joback Calculated Property
Cp,gas 508.25 J/mol×K 637.87 Joback Calculated Property
Cp,gas 526.10 J/mol×K 673.74 Joback Calculated Property
Cp,gas 543.05 J/mol×K 709.62 Joback Calculated Property
Cp,gas 559.21 J/mol×K 745.50 Joback Calculated Property
Cp,gas 574.71 J/mol×K 781.37 Joback Calculated Property
Cp,gas 589.67 J/mol×K 817.25 Joback Calculated Property
ΔvapH 72.10 kJ/mol 310.50 NIST

Similar Compounds

trans-«beta»-Ionone. 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-. 1-Penten-3-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-. «alpha»-Isoamylionone. Allyl ionone. 2-Propenal, 3-(2,6,6-trimethyl-1-cyclohexen-1-yl)-. Selina 2,4-diene. «alpha»-Pyrovetivene. 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-methyl-1-buten-3-one. (8R,8aS)-8,8a-Dimethyl-2-(propan-2-ylidene)-1,2,3,7,8,8a-hexahydronaphthalene. «beta»-Vetispirene. (5R,10R)-10-Methyl-6-methylene-2-(propan-2-ylidene)spiro[4.5]dec-7-ene. Spirovetiva-1,7(11),10(14)-triene. Stigmastan-3,5,22-trien. B-Ionene.

Find more compounds similar to 3-Buten-2-one, 4-(2,5,6,6-tetramethyl-1-cyclohexen-1-yl)-.

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