Chemical Properties of (E)-3-Oxo-retro-«alpha»-ionol

(E)-3-Oxo-retro-«alpha»-ionol

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InChI
InChI=1S/C13H22O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h6,9-10,14H,5,7-8H2,1-4H3/b12-6+
InChI Key
PEEBQRPOLIDAGI-WUXMJOGZSA-N
Formula
C13H22O2
SMILES
CC(O)CC=C1C(C)CC(=O)CC1(C)C
Molecular Weight1
210.31
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Physical Properties

Property Value Unit Source
Δf -146.56 kJ/mol Joback Calculated Property
Δfgas -481.61 kJ/mol Joback Calculated Property
Δfus 16.43 kJ/mol Joback Calculated Property
Δvap 64.83 kJ/mol Joback Calculated Property
log10WS -3.18 Crippen Calculated Property
logPoct/wat 2.709 Crippen Calculated Property
McVol 186.310 ml/mol McGowan Calculated Property
Pc 2300.32 kPa Joback Calculated Property
Inp [1692.00; 1693.00]   Show Hide
Inp 1692.00 NIST
Inp 1693.00 NIST
Tboil 678.16 K Joback Calculated Property
Tc 884.96 K Joback Calculated Property
Tfus 387.71 K Joback Calculated Property
Vc 0.697 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [535.94; 628.55] J/mol×K [678.16; 884.96] Show Hide
Cp,gas 535.94 J/mol×K 678.16 Joback Calculated Property
Cp,gas 552.98 J/mol×K 712.63 Joback Calculated Property
Cp,gas 569.28 J/mol×K 747.09 Joback Calculated Property
Cp,gas 584.91 J/mol×K 781.56 Joback Calculated Property
Cp,gas 599.94 J/mol×K 816.03 Joback Calculated Property
Cp,gas 614.46 J/mol×K 850.49 Joback Calculated Property
Cp,gas 628.55 J/mol×K 884.96 Joback Calculated Property

Similar Compounds

(Z)-3-Oxo-retro-«alpha»-ionol. 22-Ketocholesterol. Pregnenolone. Pregn-5-en-20-one, 3-hydroxy-. Megastigma-4,6-dien-3-one, 9-hydroxy. 9-Hydroxymegastigma-4,6-dien-3-one (isomer # 1). 3-oxo-«alpha»-retroionol 1. 9-Hydroxymegastigma-4,6-dien-3-one (isomer # 2). Prasterone. (8R,8aS)-8,8a-Dimethyl-3,4,6,7,8,8a-hexahydronaphthalen-2(1H)-one. Aldehyde of bryodulcosigenine 5. Stigmasta-5,23-dien-3«beta»-ol. 8-«alpha»-Methyl-11,12,13-tris-nor-eremophil-1(10)-en-7-one. Pregna-5,16-dien-20-one, 3-hydroxy-, (3«beta»)-. Fucosterol.

Find more compounds similar to (E)-3-Oxo-retro-«alpha»-ionol.

Sources

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