Chemical Properties of (S,E)-4-Hydroxy-3,5,5-trimethyl-4-(3-oxobut-1-en-1-yl)cyclohex-2-enone (CAS 39763-33-2)

(S,E)-4-Hydroxy-3,5,5-trimethyl-4-(3-oxobut-1-en-1-yl)cyclohex-2-enone

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InChI
InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+/t13-/m0/s1
InChI Key
JJRYPZMXNLLZFH-GFUIURDCSA-N
Formula
C13H18O3
SMILES
CC(=O)C=CC1(O)C(C)=CC(=O)CC1(C)C
Molecular Weight1
222.28
CAS
39763-33-2
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Physical Properties

Property Value Unit Source
Δf -223.44 kJ/mol Joback Calculated Property
Δfgas -486.17 kJ/mol Joback Calculated Property
Δfus 15.97 kJ/mol Joback Calculated Property
Δvap 70.93 kJ/mol Joback Calculated Property
log10WS -2.56 Crippen Calculated Property
logPoct/wat 1.808 Crippen Calculated Property
McVol 183.580 ml/mol McGowan Calculated Property
Pc 2654.29 kPa Joback Calculated Property
Inp [1799.80; 1799.80]   Show Hide
Inp 1799.80 NIST
Inp 1799.80 NIST
Tboil 734.37 K Joback Calculated Property
Tc 955.11 K Joback Calculated Property
Tfus 474.38 K Joback Calculated Property
Vc 0.690 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [525.71; 617.66] J/mol×K [734.37; 955.11] Show Hide
Cp,gas 525.71 J/mol×K 734.37 Joback Calculated Property
Cp,gas 540.92 J/mol×K 771.16 Joback Calculated Property
Cp,gas 555.92 J/mol×K 807.95 Joback Calculated Property
Cp,gas 570.90 J/mol×K 844.74 Joback Calculated Property
Cp,gas 586.06 J/mol×K 881.53 Joback Calculated Property
Cp,gas 601.58 J/mol×K 918.32 Joback Calculated Property
Cp,gas 617.66 J/mol×K 955.11 Joback Calculated Property

Similar Compounds

2-Cyclohexen-1-one, 4-hydroxy-3,5,5-trimethyl-4-(3-oxo-1-butenyl)-. 4-hydroxy-4-(3«xi»-hydroxy-1-butenyl)-3,5,5-trimethylcyclohex-2-en-1-one. Vomifoliol. (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)-. 2-Cyclohexen-1-one, 4-hydroxy-3,5,6-trimethyl-4-(3-oxo-1-butenyl)-. 1,8-Dihydrovomifoliol. ABA, Me-TMS. Vomifoliol. abscisic acid, Me. 8'-HOCH2-ABA, Me-TMS. theaspirone. Norethisterone. Betamethasone. Dexamethasone.

Find more compounds similar to (S,E)-4-Hydroxy-3,5,5-trimethyl-4-(3-oxobut-1-en-1-yl)cyclohex-2-enone.

Sources

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