Chemical Properties of Aristolactone

Aristolactone

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InChI
InChI=1S/C15H22O2/c1-10(2)13-8-7-11(3)5-4-6-12-9-14(13)17-15(12)16/h5,12-14H,1,4,6-9H2,2-3H3/b11-5-/t12?,13-,14-/m0/s1
InChI Key
QFJWNYYLCNCGSX-XKUGNUBLSA-N
Formula
C15H22O2
SMILES
C=C(C)C1CCC(C)=CCCC2CC1OC2=O
Molecular Weight1
234.33

Physical Properties

Property Value Unit Source
Δf 7.52 kJ/mol Joback Calculated Property
Δfgas -372.38 kJ/mol Joback Calculated Property
Δfus 25.08 kJ/mol Joback Calculated Property
Δvap 58.65 kJ/mol Joback Calculated Property
log10WS -4.09 Crippen Calculated Property
logPoct/wat 3.631 Crippen Calculated Property
McVol 199.330 ml/mol McGowan Calculated Property
Pc 2090.75 kPa Joback Calculated Property
Inp [2060.00; 2060.00]   Show Hide
Inp 2060.00 NIST
Inp 2060.00 NIST
I [2633.00; 2633.00]   Show Hide
I 2633.00 NIST
I 2633.00 NIST
Tboil 672.50 K Joback Calculated Property
Tc 913.54 K Joback Calculated Property
Tfus 361.68 K Joback Calculated Property
Vc 0.737 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [583.54; 698.37] J/mol×K [672.50; 913.54] Show Hide
Cp,gas 583.54 J/mol×K 672.50 Joback Calculated Property
Cp,gas 606.76 J/mol×K 712.67 Joback Calculated Property
Cp,gas 628.33 J/mol×K 752.85 Joback Calculated Property
Cp,gas 648.26 J/mol×K 793.02 Joback Calculated Property
Cp,gas 666.57 J/mol×K 833.19 Joback Calculated Property
Cp,gas 683.27 J/mol×K 873.36 Joback Calculated Property
Cp,gas 698.37 J/mol×K 913.54 Joback Calculated Property

Similar Compounds

Dihydrodehydrocostus lactone. «beta»-Cyclodihydrocostunolide. Germacranolide callitris. (3R,3aR,4aS,5R,9aS)-3,5,8-Trimethyl-3a,4,4a,5,6,7,9,9a-octahydroazuleno[6,5-b]furan-2(3H)-one. 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»)]-. Santamarine. Wine lactone, (3R, 3aR, 7aS). 3a,4,5,7a-tetrahydro-3,6-dimethyl- 2(3H)-benzofuranone. Wine lactone. 2(3H)-Benzofuranone, 3a,4,5,7a-tetrahydro-3,6-dimethyl-. Wine lactone, (3R, 3aS, 7aR). Wine lactone, (3R, 3aR, 7aR). Wine lactone, (3S, 3aR, 7aR). Wine lactone, (3S, 3aR, 7aS). Wine lactone, (3S, 3aS, 7aS).

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