Chemical Properties of Desoxyadhumulone

Desoxyadhumulone

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InChI
InChI=1S/C21H30O4/c1-7-14(6)18(22)17-20(24)15(10-8-12(2)3)19(23)16(21(17)25)11-9-13(4)5/h8-9,14,23-25H,7,10-11H2,1-6H3
InChI Key
VXESUOYBWMDWCJ-UHFFFAOYSA-N
Formula
C21H30O4
SMILES
CCC(C)C(=O)c1c(O)c(CC=C(C)C)c(O)c(CC=C(C)C)c1O
Molecular Weight1
346.46
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Physical Properties

Property Value Unit Source
Δf -232.79 kJ/mol Joback Calculated Property
Δfgas -698.11 kJ/mol Joback Calculated Property
Δfus 56.62 kJ/mol Joback Calculated Property
Δvap 111.42 kJ/mol Joback Calculated Property
log10WS -5.61 Crippen Calculated Property
logPoct/wat 5.050 Crippen Calculated Property
McVol 293.570 ml/mol McGowan Calculated Property
Pc 1888.72 kPa Joback Calculated Property
Inp [2364.00; 2365.00]   Show Hide
Inp 2365.00 NIST
Inp 2364.00 NIST
Tboil 1019.89 K Joback Calculated Property
Tc 1258.44 K Joback Calculated Property
Tfus 709.90 K Joback Calculated Property
Vc 0.964 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [983.40; 1127.55] J/mol×K [1019.89; 1258.44] Show Hide
Cp,gas 983.40 J/mol×K 1019.89 Joback Calculated Property
Cp,gas 1004.24 J/mol×K 1059.65 Joback Calculated Property
Cp,gas 1025.99 J/mol×K 1099.41 Joback Calculated Property
Cp,gas 1048.94 J/mol×K 1139.17 Joback Calculated Property
Cp,gas 1073.34 J/mol×K 1178.93 Joback Calculated Property
Cp,gas 1099.45 J/mol×K 1218.68 Joback Calculated Property
Cp,gas 1127.55 J/mol×K 1258.44 Joback Calculated Property

Similar Compounds

Desoxyhumulone. Desoxycohumulone. Desoxyadhumulone, TMS. Desoxyhumulone, TMS. Desoxycohumulone, TMS. isotorquatone. Glabrol. (-)-3-Menthoxyacetoxy-(+)-estra-1,3,5(10),6,8-pentaen-17-one. (-)-3-Menthoxyacetoxy-(-)-estra-1,3,5(10),6,8-pentaen-17-one. Nicolaioidesin B. Mebhydroline M (nor, OH), acetylated. 1,3,5(10)-Oestratriene-2-methoxy-3,17«beta»-diol, 3-TBDMS-17-HFB. Mebhydrolin. Metopon. propyl-«delta»1-tetrahydrocannabinolic acid, TMS.

Find more compounds similar to Desoxyadhumulone.

Sources

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