Chemical Properties of Jalcaguaianolide

Jalcaguaianolide

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InChI
InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h5,11,13-14H,1,4,6-7H2,2-3H3/t11-,13-,14?/m1/s1
InChI Key
WAQFXLYLGJEYAW-AYBZEELNSA-N
Formula
C15H18O2
SMILES
C=C1CCC2=C(C)C(=O)OC2C2C(C)=CCC12
Molecular Weight1
230.30

Physical Properties

Property Value Unit Source
Δf 84.67 kJ/mol Joback Calculated Property
Δfgas -263.48 kJ/mol Joback Calculated Property
Δfus 28.22 kJ/mol Joback Calculated Property
Δvap 60.90 kJ/mol Joback Calculated Property
log10WS -3.84 Crippen Calculated Property
logPoct/wat 3.161 Crippen Calculated Property
McVol 184.170 ml/mol McGowan Calculated Property
Pc 2276.24 kPa Joback Calculated Property
Inp 1939.00 NIST
Tboil 687.09 K Joback Calculated Property
Tc 925.52 K Joback Calculated Property
Tfus 446.10 K Joback Calculated Property
Vc 0.699 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [536.69; 632.78] J/mol×K [687.09; 925.52] Show Hide
Cp,gas 536.69 J/mol×K 687.09 Joback Calculated Property
Cp,gas 555.78 J/mol×K 726.83 Joback Calculated Property
Cp,gas 573.58 J/mol×K 766.57 Joback Calculated Property
Cp,gas 590.13 J/mol×K 806.30 Joback Calculated Property
Cp,gas 605.48 J/mol×K 846.04 Joback Calculated Property
Cp,gas 619.68 J/mol×K 885.78 Joback Calculated Property
Cp,gas 632.78 J/mol×K 925.52 Joback Calculated Property

Similar Compounds

5,8-Epoxyamorpha-3,7(11)-diene. 2H-Cyclohepta[b]furan-2-one, 6-[1-(acetyloxy)-3-oxobutyl]-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-. Hanphyllin. (+)-(1R,5S,6R,9R,10R)-5,9-Epoxyamorpha-3,7(11)-diene. Azuleno[4,5-b]furan-2(3H)-one, 3a,4,6a,7,8,9,9a,9b-octahydro-6-methyl-3,9-bis(methylene)-, [3aS-(3a«alpha»,6a«alpha»,9a«alpha»,9b«beta»)]-. «gamma»-Ponalactone. Costunolide. Isogermafurenolide. Santamarine. GA73, Me. GA73 Methyl ester, [D2]. GA3-13-O-glucoside, permethylated. GA5-13-O-«beta»-D-glucopyranoside, permethyl. Digoxin (L1=41,8mg/mL, L2=68,2mg/mL, Z=40,1mg/mL). Digitoxin.

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