Chemical Properties of 3-oxo-«alpha»-retroionol 1

3-oxo-«alpha»-retroionol 1

PDF Excel Molecule Calculator
InChI
InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h6-7,10,14H,5,8H2,1-4H3/b12-6-
InChI Key
JHWWVZZGBLPJPW-SDQBBNPISA-N
Formula
C13H20O2
SMILES
CC1=CC(=O)CC(C)(C)C1=CCC(C)O
Molecular Weight1
208.30
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
Δf -118.52 kJ/mol Joback Calculated Property
Δfgas -414.96 kJ/mol Joback Calculated Property
Δfus 16.19 kJ/mol Joback Calculated Property
Δvap 66.09 kJ/mol Joback Calculated Property
log10WS -3.28 Crippen Calculated Property
logPoct/wat 2.629 Crippen Calculated Property
McVol 182.010 ml/mol McGowan Calculated Property
Pc 2424.27 kPa Joback Calculated Property
I 2756.00 NIST
Tboil 686.97 K Joback Calculated Property
Tc 896.30 K Joback Calculated Property
Tfus 405.23 K Joback Calculated Property
Vc 0.683 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [509.30; 594.44] J/mol×K [686.97; 896.30] Show Hide
Cp,gas 509.30 J/mol×K 686.97 Joback Calculated Property
Cp,gas 524.83 J/mol×K 721.86 Joback Calculated Property
Cp,gas 539.71 J/mol×K 756.75 Joback Calculated Property
Cp,gas 554.03 J/mol×K 791.64 Joback Calculated Property
Cp,gas 567.87 J/mol×K 826.52 Joback Calculated Property
Cp,gas 581.31 J/mol×K 861.41 Joback Calculated Property
Cp,gas 594.44 J/mol×K 896.30 Joback Calculated Property

Similar Compounds

Megastigma-4,6-dien-3-one, 9-hydroxy. 9-Hydroxymegastigma-4,6-dien-3-one (isomer # 1). 9-Hydroxymegastigma-4,6-dien-3-one (isomer # 2). 4-(3-oxobut-1-enylidene)-3,5,5-trimethylcyclohex-2-en-1-one. 4-hydroxy-«beta»-damascone. Eudesma-3,5-dien-1-«alpha»-ol. Pregnenolone-7,9(11)-dien. (Z)-3-Oxo-retro-«alpha»-ionol. (E)-3-Oxo-retro-«alpha»-ionol. Eudesma-3,5-dien-1«beta»-ol. Estra-4,9,11-trien-3-one, 17-«beta»-hydroxy-. Dehydroergosterol. megastigmatrien-3-one. Megastigma-4,6,8-trien-3-one. 4,6,8-Megastigmatrien-3-one, isomer # 2.

Find more compounds similar to 3-oxo-«alpha»-retroionol 1.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.