Chemical Properties of 5-Hepten-3-one, 2-(5-ethenyltetrahydro-5-methyl-2-furanyl)-6-methyl-, [2S-[2«alpha»(R*),5«alpha»]]- (CAS 20482-11-5)

5-Hepten-3-one, 2-(5-ethenyltetrahydro-5-methyl-2-furanyl)-6-methyl-, [2S-[2«alpha»(R*),5«alpha»]]-

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InChI
InChI=1S/C15H24O2/c1-6-15(5)10-9-14(17-15)12(4)13(16)8-7-11(2)3/h6-7,12,14H,1,8-10H2,2-5H3/t12?,14-,15-/m1/s1
InChI Key
FJKKZNIYYVEYOL-JENMUQSASA-N
Formula
C15H24O2
SMILES
C=CC1(C)CCC(C(C)C(=O)CC=C(C)C)O1
Molecular Weight1
236.35
CAS
20482-11-5
Other Names
  • 5-Hepten-3-one, 6-methyl-2-(tetrahydro-5-methyl-5-vinyl-2-furyl)-, (+)-
  • Davanone
  • 5-Hepten-3-one, 2-(5-ethenyltetrahydro-5-methyl-2-furanyl)-6-methyl-
  • 5-Hepten-3-one, 6-methyl-2-(tetrahydro-5-methyl-5-vinyl-2-furyl)-
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Physical Properties

Property Value Unit Source
Δf 40.80 kJ/mol Joback Calculated Property
Δfgas -314.55 kJ/mol Joback Calculated Property
Δfus 26.98 kJ/mol Joback Calculated Property
Δvap 58.02 kJ/mol Joback Calculated Property
log10WS -4.05 Crippen Calculated Property
logPoct/wat 3.672 Crippen Calculated Property
McVol 210.190 ml/mol McGowan Calculated Property
Pc 1882.17 kPa Joback Calculated Property
Inp [1552.00; 1609.00]   Show Hide
Inp 1567.00 NIST
Inp 1559.00 NIST
Inp 1561.00 NIST
Inp 1592.00 NIST
Inp 1586.00 NIST
Inp 1568.00 NIST
Inp 1592.00 NIST
Inp 1561.00 NIST
Inp 1554.00 NIST
Inp 1554.00 NIST
Inp 1567.00 NIST
Inp 1552.00 NIST
Inp 1593.00 NIST
Inp 1588.00 NIST
Inp 1608.00 NIST
Inp 1580.00 NIST
Inp 1553.00 NIST
Inp 1567.00 NIST
Inp 1608.00 NIST
Inp 1609.00 NIST
Inp 1588.00 NIST
Inp 1586.00 NIST
Inp 1567.00 NIST
Inp 1561.00 NIST
Inp 1593.00 NIST
Inp 1608.00 NIST
Inp 1559.00 NIST
Inp 1592.00 NIST
I [2040.00; 2040.00]   Show Hide
I 2040.00 NIST
I 2040.00 NIST
Tboil 634.55 K Joback Calculated Property
Tc 845.68 K Joback Calculated Property
Tfus 330.07 K Joback Calculated Property
Vc 0.796 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [573.19; 675.35] J/mol×K [634.55; 845.68] Show Hide
Cp,gas 573.19 J/mol×K 634.55 Joback Calculated Property
Cp,gas 592.37 J/mol×K 669.74 Joback Calculated Property
Cp,gas 610.50 J/mol×K 704.93 Joback Calculated Property
Cp,gas 627.73 J/mol×K 740.11 Joback Calculated Property
Cp,gas 644.19 J/mol×K 775.30 Joback Calculated Property
Cp,gas 660.02 J/mol×K 810.49 Joback Calculated Property
Cp,gas 675.35 J/mol×K 845.68 Joback Calculated Property

Similar Compounds

davanone isomer+. Davanone C. Davanone D. Davanone B. Isodavanone. Methyldavanate. Nordavanone. Norodovanone. 1,2-Dehydro-3,4-dihydro-3-hydroxydavanone. «beta»-davan-2-ol. 2-Hydroxyisodavanone D. 2-Hydroxyisodavanone. 3-Hydroxyisodavanone. 1,2-Dehydro-3-hydroxy-isodavanone. (S,Z)-5-Hydroxy-6-methyl-2-((2S,5R)-5-methyl-5-vinyltetrahydrofuran-2-yl)hepta-4,6-dien-3-one.

Find more compounds similar to 5-Hepten-3-one, 2-(5-ethenyltetrahydro-5-methyl-2-furanyl)-6-methyl-, [2S-[2«alpha»(R*),5«alpha»]]-.

Sources

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