Chemical Properties of 2-Hydroxy-4,4,6-trimethylcyclohexa-2,5-dienone (CAS 28750-52-9)

2-Hydroxy-4,4,6-trimethylcyclohexa-2,5-dienone

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InChI
InChI=1S/C9H12O2/c1-6-4-9(2,3)5-7(10)8(6)11/h4-5,10H,1-3H3
InChI Key
GKOBUKITZSFCJC-UHFFFAOYSA-N
Formula
C9H12O2
SMILES
CC1=CC(C)(C)C=C(O)C1=O
Molecular Weight1
152.19
CAS
28750-52-9
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Physical Properties

Property Value Unit Source
Δf -174.89 kJ/mol Joback Calculated Property
Δfgas -356.84 kJ/mol Joback Calculated Property
Δfus 9.87 kJ/mol Joback Calculated Property
Δvap 57.74 kJ/mol Joback Calculated Property
log10WS -2.05 Crippen Calculated Property
logPoct/wat 1.983 Crippen Calculated Property
McVol 125.650 ml/mol McGowan Calculated Property
Pc 3615.89 kPa Joback Calculated Property
Inp [1098.00; 1164.90]   Show Hide
Inp 1098.00 NIST
Inp 1164.90 NIST
Inp 1164.90 NIST
Inp 1098.00 NIST
Tboil 593.39 K Joback Calculated Property
Tc 808.90 K Joback Calculated Property
Tfus 378.07 K Joback Calculated Property
Vc 0.469 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [308.93; 374.01] J/mol×K [593.39; 808.90] Show Hide
Cp,gas 308.93 J/mol×K 593.39 Joback Calculated Property
Cp,gas 320.94 J/mol×K 629.31 Joback Calculated Property
Cp,gas 332.39 J/mol×K 665.23 Joback Calculated Property
Cp,gas 343.35 J/mol×K 701.15 Joback Calculated Property
Cp,gas 353.89 J/mol×K 737.07 Joback Calculated Property
Cp,gas 364.09 J/mol×K 772.98 Joback Calculated Property
Cp,gas 374.01 J/mol×K 808.90 Joback Calculated Property

Similar Compounds

4-Hydroxy-2,6,6-trimethyl-3-oxocyclohexa-1,4-dienecarbaldehyde. 2,4,4-Trimethyl-3-carboxaldehyde-5-hydroxy-2,5-cyclohexadiene-1-one. (4aR,5S)-1-Hydroxy-4a,5-dimethyl-3-(propan-2-ylidene)-4,4a,5,6-tetrahydronaphthalen-2(3H)-one. 2,3-Dehydro-4-oxo-«beta»-ionol. 3-Hydroxyestra-2,5(10)-diene-1,4,17-trione. 2,6,10-Cycloundecatrien-1-one, 2,6,9,9-tetramethyl-, (E,E,E)-. 1,3-Cyclohexadien-2-ol, 3-methyl-5-(1,5-dimethyl-3-oxo-4-hexen-1-yl). Chloranthalactone A. «alpha»-Santonin. 6,11-«alpha»(H)-Santonin. 6-«alpha»(H)-Santonin. Naphtho[1,2-b]furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, [3R-(3«alpha»,3a«beta»,5a«alpha»,9b«alpha»)]-. Eudesma-4(15),7(11),8-trien-12-olide. Corticosterone, tetra-TMS. 5-Androsten-3«beta»-ol-17-one, VDMS.

Find more compounds similar to 2-Hydroxy-4,4,6-trimethylcyclohexa-2,5-dienone.

Sources

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