Chemical Properties of marmelo lactone

marmelo lactone

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InChI
InChI=1S/C10H14O2/c1-7(2)4-5-9-6-8(3)10(11)12-9/h4-5,8-9H,1,6H2,2-3H3/b5-4+
InChI Key
VOJBXZDIFIJUKD-SNAWJCMRSA-N
Formula
C10H14O2
SMILES
C=C(C)C=CC1CC(C)C(=O)O1
Molecular Weight1
166.22
Other Names
  • 2,7-dimethyl-4-hydroxy-5(E),7-octadienoic acid lactone
  • trans-Marmelolactone
Sources

Physical Properties

Property Value Unit Source
Δf 12.96 kJ/mol Joback Calculated Property
Δfgas -246.43 kJ/mol Joback Calculated Property
Δfus 21.76 kJ/mol Joback Calculated Property
Δvap 45.93 kJ/mol Joback Calculated Property
logPoct/wat 2.07 Crippen Calculated Property
Pc 2752.67 kPa Joback Calculated Property
Tboil 534.30 K Joback Calculated Property
Tc 756.82 K Joback Calculated Property
Tfus 283.11 K Joback Calculated Property
Vc 0.53 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 333.62 J/mol×K 534.3 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (ring) 1
=C< 1
=CH2 1
=CH- 2
-CH3 2
>CH- (ring) 2
-CH2- (ring) 1
>C=O (ring) 1

Similar Compounds

marmelolactone, II. marmelolactone, I. E-Dodec-5-en-4-olide. (Z)-Dodec-5-en-4-olide. 3,7-Dimethyl-oct-6-en-4-olide. (Z)-5-(2-pentenylpentanolide-5,1). Wine lactone, (3S, 3aR, 7aS). Wine lactone, (3R, 3aR, 7aS). 2(3H)-Benzofuranone, 3a,4,5,7a-tetrahydro-3,6-dimethyl-. Wine lactone, (3S, 3aR, 7aR). Wine lactone, (3R, 3aR, 7aR). 3a,4,5,7a-tetrahydro-3,6-dimethyl- 2(3H)-benzofuranone. Wine lactone, (3R, 3aS, 7aR). Wine lactone, (3R, 3aS, 7aS). Wine lactone.

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