Chemical Properties of 4-Hydroxy-2,6,6-trimethyl-3-oxocyclohexa-1,4-dienecarbaldehyde (CAS 35692-95-6)

4-Hydroxy-2,6,6-trimethyl-3-oxocyclohexa-1,4-dienecarbaldehyde

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InChI
InChI=1S/C10H12O3/c1-6-7(5-11)10(2,3)4-8(12)9(6)13/h4-5,12H,1-3H3
InChI Key
COUDKMJLVVETJL-UHFFFAOYSA-N
Formula
C10H12O3
SMILES
CC1=C(C=O)C(C)(C)C=C(O)C1=O
Molecular Weight1
180.20
CAS
35692-95-6
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Physical Properties

Property Value Unit Source
Δf -275.62 kJ/mol Joback Calculated Property
Δfgas -474.53 kJ/mol Joback Calculated Property
Δfus 14.36 kJ/mol Joback Calculated Property
Δvap 67.35 kJ/mol Joback Calculated Property
log10WS -1.75 Crippen Calculated Property
logPoct/wat 1.553 Crippen Calculated Property
McVol 141.310 ml/mol McGowan Calculated Property
Pc 3460.21 kPa Joback Calculated Property
Inp [1298.00; 1396.40]   Show Hide
Inp 1396.40 NIST
Inp 1298.00 NIST
Tboil 669.91 K Joback Calculated Property
Tc 884.92 K Joback Calculated Property
Tfus 443.86 K Joback Calculated Property
Vc 0.541 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [369.61; 433.00] J/mol×K [669.91; 884.92] Show Hide
Cp,gas 369.61 J/mol×K 669.91 Joback Calculated Property
Cp,gas 381.04 J/mol×K 705.75 Joback Calculated Property
Cp,gas 392.04 J/mol×K 741.58 Joback Calculated Property
Cp,gas 402.67 J/mol×K 777.42 Joback Calculated Property
Cp,gas 412.99 J/mol×K 813.25 Joback Calculated Property
Cp,gas 423.08 J/mol×K 849.09 Joback Calculated Property
Cp,gas 433.00 J/mol×K 884.92 Joback Calculated Property

Similar Compounds

2,4,4-Trimethyl-3-carboxaldehyde-5-hydroxy-2,5-cyclohexadiene-1-one. 3-Hydroxyestra-2,5(10)-diene-1,4,17-trione. 2-Hydroxy-4,4,6-trimethylcyclohexa-2,5-dienone. (4aR,5S)-1-Hydroxy-4a,5-dimethyl-3-(propan-2-ylidene)-4,4a,5,6-tetrahydronaphthalen-2(3H)-one. trans-Isohumulone, TMS. cis-Isohumulone, TMS. 16-Oxoestradiol, TMS. 6,11-«alpha»(H)-Santonin. «alpha»-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»)]-. 6-«alpha»(H)-Santonin. 6«alpha»-Methylprednisolone, tetra-TMS. dehydropanamine-type. GA3-13-O-glucoside, permethylated. SCHEMBL9488362.

Find more compounds similar to 4-Hydroxy-2,6,6-trimethyl-3-oxocyclohexa-1,4-dienecarbaldehyde.

Sources

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