Chemical Properties of 4-hydroxy-4-(3-oxo-1-butynyl)-3,5,5-trimethylcyclohex-2-en-1-one

4-hydroxy-4-(3-oxo-1-butynyl)-3,5,5-trimethylcyclohex-2-en-1-one

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InChI
InChI=1S/C13H16O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h7,16H,8H2,1-4H3
InChI Key
OIUCJUSKOSEUNB-UHFFFAOYSA-N
Formula
C13H16O3
SMILES
CC(=O)C#CC1(O)C(C)=CC(=O)CC1(C)C
Molecular Weight1
220.26
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Physical Properties

Property Value Unit Source
Δf -100.86 kJ/mol Joback Calculated Property
Δfgas -331.09 kJ/mol Joback Calculated Property
Δfus 18.89 kJ/mol Joback Calculated Property
Δvap 73.13 kJ/mol Joback Calculated Property
log10WS -2.50 Crippen Calculated Property
logPoct/wat 1.255 Crippen Calculated Property
McVol 179.280 ml/mol McGowan Calculated Property
Pc 2976.29 kPa Joback Calculated Property
Inp [1649.00; 1649.00]   Show Hide
Inp 1649.00 NIST
Inp 1649.00 NIST
Tboil 739.21 K Joback Calculated Property
Tc 974.09 K Joback Calculated Property
Tfus 585.56 K Joback Calculated Property
Vc 0.671 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [502.46; 596.28] J/mol×K [739.21; 974.09] Show Hide
Cp,gas 502.46 J/mol×K 739.21 Joback Calculated Property
Cp,gas 517.77 J/mol×K 778.36 Joback Calculated Property
Cp,gas 532.94 J/mol×K 817.50 Joback Calculated Property
Cp,gas 548.17 J/mol×K 856.65 Joback Calculated Property
Cp,gas 563.66 J/mol×K 895.80 Joback Calculated Property
Cp,gas 579.63 J/mol×K 934.95 Joback Calculated Property
Cp,gas 596.28 J/mol×K 974.09 Joback Calculated Property

Similar Compounds

dehydrovomifoliol. (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)-. Antheridic acid, MeTMS. Norethisterone. 3,18-Dioxo-11«beta»,17«alpha»-dihydroxy-4-etienic acid, 20,18-lactone, 18,11-hemiacetal, MO-TMS. 4-hydroxy-4-(3«xi»-hydroxy-1-butenyl)-3,5,5-trimethylcyclohex-2-en-1-one. Vomifoliol. Estra-1,3,5(10),7-tetraene-3,17-diol, (17«alpha»)-. 3'-Hydroxystanozolol, per-TMS. GA88, MeTMS. Jacozine. 2-(2-furyl)-3-hydroxypiperidine. L-Alanine, N-[N-[N-[N-(1-oxodecyl)glycyl]-L-tryptophyl]-L-alanyl]-, methyl ester. 2-(5-methyl-2-furyl)-3-hydroxy-piperidine.

Find more compounds similar to 4-hydroxy-4-(3-oxo-1-butynyl)-3,5,5-trimethylcyclohex-2-en-1-one.

Sources

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