Chemical Properties of (9R)-9-Hydroxy-4-7E-megastigmadien-3-one

(9R)-9-Hydroxy-4-7E-megastigmadien-3-one

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InChI
InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10,12,14H,8H2,1-4H3/b6-5+/t10-,12?/m0/s1
InChI Key
MDCGEAGEQVMWPE-BDQZYLSHSA-N
Formula
C13H20O2
SMILES
CC1=CC(=O)CC(C)(C)C1C=CC(C)O
Molecular Weight1
208.30

Physical Properties

Property Value Unit Source
Δf -91.47 kJ/mol Joback Calculated Property
Δfgas -394.11 kJ/mol Joback Calculated Property
Δfus 17.14 kJ/mol Joback Calculated Property
Δvap 64.95 kJ/mol Joback Calculated Property
log10WS -3.04 Crippen Calculated Property
logPoct/wat 2.485 Crippen Calculated Property
McVol 182.010 ml/mol McGowan Calculated Property
Pc 2400.57 kPa Joback Calculated Property
Inp 1655.00 NIST
Tboil 679.82 K Joback Calculated Property
Tc 891.27 K Joback Calculated Property
Tfus 385.55 K Joback Calculated Property
Vc 0.679 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [513.02; 601.88] J/mol×K [679.82; 891.27] Show Hide
Cp,gas 513.02 J/mol×K 679.82 Joback Calculated Property
Cp,gas 529.35 J/mol×K 715.06 Joback Calculated Property
Cp,gas 544.95 J/mol×K 750.30 Joback Calculated Property
Cp,gas 559.91 J/mol×K 785.55 Joback Calculated Property
Cp,gas 574.32 J/mol×K 820.79 Joback Calculated Property
Cp,gas 588.28 J/mol×K 856.03 Joback Calculated Property
Cp,gas 601.88 J/mol×K 891.27 Joback Calculated Property

Similar Compounds

(E)-4-(3-Oxo-2,6,6-trimethylcyclohex-1-en-1-yl)-3-buten-2-ol. 2-Cyclohexen-1-one, 4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-. 13-hydroxy-3-oxo-«alpha»-ionol. 3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)-. 2-Cyclohexen-1-one, 3,5,5-trimethyl-4-(3-oxo-1-butenyl)-. 3-Oxo-«alpha»-ionone. Megastigmatrienone. Vomifoliol. 4-hydroxy-4-(3«xi»-hydroxy-1-butenyl)-3,5,5-trimethylcyclohex-2-en-1-one. 9-Hydroxymegastigm-7-en-3-one. Allyl ionone 2. Allyl «alpha»-ionone. Allyl ionone 4. Allyl ionone 3. Allyl ionone 1.

Find more compounds similar to (9R)-9-Hydroxy-4-7E-megastigmadien-3-one.

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