Chemical Properties of 1-Penten-3-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)- (CAS 127-43-5)

1-Penten-3-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-

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InChI
InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9H,5-7,10H2,1-4H3/b9-8+
InChI Key
LMWNGLDCJDIIBR-CMDGGOBGSA-N
Formula
C14H22O
SMILES
CCC(=O)C=CC1=C(C)CCCC1(C)C
Molecular Weight1
206.32
CAS
127-43-5
Other Names
  • «beta»-Ionone, methyl-
  • «beta»-Iraldeine
  • «beta»-Methylionone
  • Methyl-«beta»-ionone
  • 5-(2,6,6-Trimethyl-1-cyclohexenyl)-4-penten-3-one
  • «beta»-N-Methyl ionone
  • 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)pent-1-en-3-one
  • 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-1-penten-3-one

Physical Properties

Property Value Unit Source
Δf 47.96 kJ/mol Joback Calculated Property
Δfgas -223.25 kJ/mol Joback Calculated Property
Δfus 19.80 kJ/mol Joback Calculated Property
Δvap 54.36 kJ/mol Joback Calculated Property
log10WS -4.32 Crippen Calculated Property
logPoct/wat 4.048 Crippen Calculated Property
McVol 190.230 ml/mol McGowan Calculated Property
Pc 2083.12 kPa Joback Calculated Property
Inp 1556.80 NIST
I 1988.00 NIST
Tboil 606.66 K Joback Calculated Property
Tc 821.95 K Joback Calculated Property
Tfus 349.47 K Joback Calculated Property
Vc 0.723 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [487.93; 585.65] J/mol×K [606.66; 821.95] Show Hide
Cp,gas 487.93 J/mol×K 606.66 Joback Calculated Property
Cp,gas 506.32 J/mol×K 642.54 Joback Calculated Property
Cp,gas 523.69 J/mol×K 678.42 Joback Calculated Property
Cp,gas 540.19 J/mol×K 714.31 Joback Calculated Property
Cp,gas 555.93 J/mol×K 750.19 Joback Calculated Property
Cp,gas 571.04 J/mol×K 786.07 Joback Calculated Property
Cp,gas 585.65 J/mol×K 821.95 Joback Calculated Property

Similar Compounds

trans-«beta»-Ionone. 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-. Allyl ionone. «alpha»-Isoamylionone. 3-Buten-2-one, 4-(2,5,6,6-tetramethyl-1-cyclohexen-1-yl)-. 2-Propenal, 3-(2,6,6-trimethyl-1-cyclohexen-1-yl)-. 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-methyl-1-buten-3-one. B-Ionene. Retinal, 9-cis-. Retinal. «beta» Carotene. 3-Oxo-«beta»-ionone. 2-Cyclohexen-1-one, 2,4,4-trimethyl-3-(3-oxo-1-butenyl)-. 2-Cyclohexen-1-one, 2,4,4-trimethyl-3-(3-oxo-1-butenyl)-, (E)-. Cyclohexene, 2-ethenyl-1,3,3-trimethyl-.

Find more compounds similar to 1-Penten-3-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-.

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