Chemical Properties of Vomifoliol

Vomifoliol

InChI
InChI=1S/C12H18O3/c1-9(13)4-6-12(15)7-5-10(14)8-11(12,2)3/h4-7,9,13,15H,8H2,1-3H3/b6-4+/t9-,12-/m0/s1
InChI Key
BZYRKOLLJAWIFZ-KFFBJUEBSA-N
Formula
C12H18O3
SMILES
CC(O)C=CC1(O)C=CC(=O)CC1(C)C
Molecular Weight1
210.27
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Physical Properties

Property Value Unit Source
ΔfusH° 12.73 kJ/mol Joback Calculated Property
logPoct/wat 1.210 Crippen Calculated Property
McVol 173.790 ml/mol McGowan Calculated Property
Inp [1802.00; 1802.00]   Show Hide
Inp 1802.00 NIST
Inp 1802.00 NIST
Inp 1802.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [513.79; 598.11] J/mol×K [744.38; 951.91] Show Hide
Cp,gas 513.79 J/mol×K 744.38 Joback Calculated Property
Cp,gas 527.61 J/mol×K 778.97 Joback Calculated Property
Cp,gas 541.30 J/mol×K 813.56 Joback Calculated Property
Cp,gas 555.03 J/mol×K 848.14 Joback Calculated Property
Cp,gas 568.96 J/mol×K 882.73 Joback Calculated Property
Cp,gas 583.27 J/mol×K 917.32 Joback Calculated Property
Cp,gas 598.11 J/mol×K 951.91 Joback Calculated Property

Similar Compounds

4-hydroxy-4-(3«xi»-hydroxy-1-butenyl)-3,5,5-trimethylcyclohex-2-en-1-one. Vomifoliol. abscisic acid, Me. 6-Hydroxy-3-oxo-«alpha»-ionol (Vomifoliol). 2-Cyclohexen-1-one, 4-hydroxy-3,5,5-trimethyl-4-(3-oxo-1-butenyl)-. (S,E)-4-Hydroxy-3,5,5-trimethyl-4-(3-oxobut-1-en-1-yl)cyclohex-2-enone. (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)-. Triamcinolone. 13-hydroxy-3-oxo-.alpha.-ionol. Fluoromethalone. ABA, Me-TMS. Betamethasone-17-valerate. 1,8-Dihydrovomifoliol. Triamcinolone Acetonide.

Find more compounds similar to Vomifoliol.

Sources

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