Chemical Properties of 9-oxo-Dihydroedulan I

9-oxo-Dihydroedulan I

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InChI
InChI=1S/C13H20O2/c1-9-8-10(14)11-12(2,3)6-5-7-13(11,4)15-9/h5,7,9,11H,6,8H2,1-4H3/t9-,11?,13+/m1/s1
InChI Key
MWMVBTVTTIYZCK-XTLKWQJWSA-N
Formula
C13H20O2
SMILES
CC1CC(=O)C2C(C)(C)CC=CC2(C)O1
Molecular Weight1
208.30

Physical Properties

Property Value Unit Source
Δf -73.47 kJ/mol Joback Calculated Property
Δfgas -412.81 kJ/mol Joback Calculated Property
Δfus 15.55 kJ/mol Joback Calculated Property
Δvap 51.17 kJ/mol Joback Calculated Property
log10WS -3.02 Crippen Calculated Property
logPoct/wat 2.725 Crippen Calculated Property
McVol 175.450 ml/mol McGowan Calculated Property
Pc 2450.74 kPa Joback Calculated Property
Inp 1463.50 NIST
Tboil 612.47 K Joback Calculated Property
Tc 856.32 K Joback Calculated Property
Tfus 392.94 K Joback Calculated Property
Vc 0.653 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [489.18; 605.24] J/mol×K [612.47; 856.32] Show Hide
Cp,gas 489.18 J/mol×K 612.47 Joback Calculated Property
Cp,gas 510.62 J/mol×K 653.11 Joback Calculated Property
Cp,gas 530.88 J/mol×K 693.75 Joback Calculated Property
Cp,gas 550.21 J/mol×K 734.39 Joback Calculated Property
Cp,gas 568.88 J/mol×K 775.04 Joback Calculated Property
Cp,gas 587.13 J/mol×K 815.68 Joback Calculated Property
Cp,gas 605.24 J/mol×K 856.32 Joback Calculated Property

Similar Compounds

9-oxo-Dihydroedulan II. Dihydroedulane-II. Dihydroedulan. [1R,3S,6R]-1,3,7,7-Tetramethyl-2-oxabicyclo[4,4,0]dec-9-ene. Dihydroedulane II. 2H-1-Benzopyran, 3,4,4a,5,6,8a-hexahydro-2,5,5,8a-tetramethyl-, (2«alpha»,4a«alpha»,8a«alpha»)-. Dihydroedulan IIA. 2,5,5,8a-Tetramethyl-3,4,4a,5,6,8a-hexahydro-2H-chromene. Dihydroedulan I. Dihydroedulan-isomer. Dihydroedulan IA. 1-Oxo-4«alpha»,5«alpha»-epoxyeudesm-2-en-11«beta»H,12,6«alpha»-olid. Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 15-acetate 8-(3-methylbutanoate), (3«alpha»,4«beta»,8«alpha»)-. GA95(1,2-didehydroGA20) isolactone, MeTMS. GA95-isolactone, MeTMS.

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