Chemical Properties of 4-hydroxy-4-(3«xi»-hydroxy-1-butenyl)-3,5,5-trimethylcyclohex-2-en-1-one

4-hydroxy-4-(3«xi»-hydroxy-1-butenyl)-3,5,5-trimethylcyclohex-2-en-1-one

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InChI
InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+
InChI Key
KPQMCAKZRXOZLB-AATRIKPKSA-N
Formula
C13H20O3
SMILES
CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)O
Molecular Weight1
224.30
Other Names
  • 2-Cyclohexen-1-one-4-ol, 3,5,5-trimethyl, 4-(3-hydroxy-1-butenyl)
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Physical Properties

Property Value Unit Source
Δf -233.78 kJ/mol Joback Calculated Property
Δfgas -531.10 kJ/mol Joback Calculated Property
Δfus 14.93 kJ/mol Joback Calculated Property
Δvap 80.48 kJ/mol Joback Calculated Property
log10WS -2.66 Crippen Calculated Property
logPoct/wat 1.600 Crippen Calculated Property
McVol 187.880 ml/mol McGowan Calculated Property
Pc 2758.46 kPa Joback Calculated Property
Inp 1768.00 NIST
Tboil 772.24 K Joback Calculated Property
Tc 978.61 K Joback Calculated Property
Tfus 470.27 K Joback Calculated Property
Vc 0.697 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [567.30; 658.11] J/mol×K [772.24; 978.61] Show Hide
Cp,gas 567.30 J/mol×K 772.24 Joback Calculated Property
Cp,gas 582.00 J/mol×K 806.64 Joback Calculated Property
Cp,gas 596.66 J/mol×K 841.03 Joback Calculated Property
Cp,gas 611.44 J/mol×K 875.43 Joback Calculated Property
Cp,gas 626.50 J/mol×K 909.82 Joback Calculated Property
Cp,gas 642.00 J/mol×K 944.22 Joback Calculated Property
Cp,gas 658.11 J/mol×K 978.61 Joback Calculated Property

Similar Compounds

Vomifoliol. (S,E)-4-Hydroxy-3,5,5-trimethyl-4-(3-oxobut-1-en-1-yl)cyclohex-2-enone. 2-Cyclohexen-1-one, 4-hydroxy-3,5,5-trimethyl-4-(3-oxo-1-butenyl)-. (2E,4E)-Methyl abscisate. 2,4-Pentadienoic acid, 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, methyl ester, (R)-(Z,E)-. Vomifoliol. 2-Cyclohexen-1-one, 4-hydroxy-3,5,6-trimethyl-4-(3-oxo-1-butenyl)-. ABA, Me-TMS. Vomifoliol 2A, Gly, TFA. Vomifoliol 1A, Gly, TFA. 8'-HOCH2-ABA, Me-TMS. Betamethasone-17-valerate. 1,8-Dihydrovomifoliol. Triamcinolone Acetonide. Triamcinolone diacetate.

Find more compounds similar to 4-hydroxy-4-(3«xi»-hydroxy-1-butenyl)-3,5,5-trimethylcyclohex-2-en-1-one.

Sources

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