Chemical Properties of 1-(2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)ethan-1-one (CAS 68039-35-0)

1-(2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)ethan-1-one

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InChI
InChI=1S/C17H26O/c1-10-6-7-15-16(4,5)14-9-17(10,15)8-13(11(14)2)12(3)18/h10,14-15H,6-9H2,1-5H3
InChI Key
YBUIAJZFOGJGLJ-UHFFFAOYSA-N
Formula
C17H26O
SMILES
CC(=O)C1=C(C)C2CC3(C1)C(C)CCC3C2(C)C
Molecular Weight1
246.39
CAS
68039-35-0
Other Names
  • Vertofix coeur
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Physical Properties

Property Value Unit Source
Δf 105.69 kJ/mol Joback Calculated Property
Δfgas -276.07 kJ/mol Joback Calculated Property
Δfus 21.58 kJ/mol Joback Calculated Property
Δvap 58.96 kJ/mol Joback Calculated Property
log10WS -4.55 Crippen Calculated Property
logPoct/wat 4.374 Crippen Calculated Property
McVol 215.080 ml/mol McGowan Calculated Property
Pc 1862.72 kPa Joback Calculated Property
Inp [1779.80; 1779.80]   Show Hide
Inp 1779.80 NIST
Inp 1779.80 NIST
Tboil 671.25 K Joback Calculated Property
Tc 896.20 K Joback Calculated Property
Tfus 443.18 K Joback Calculated Property
Vc 0.829 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [639.03; 759.92] J/mol×K [671.25; 896.20] Show Hide
Cp,gas 639.03 J/mol×K 671.25 Joback Calculated Property
Cp,gas 660.42 J/mol×K 708.74 Joback Calculated Property
Cp,gas 680.93 J/mol×K 746.23 Joback Calculated Property
Cp,gas 700.85 J/mol×K 783.72 Joback Calculated Property
Cp,gas 720.46 J/mol×K 821.21 Joback Calculated Property
Cp,gas 740.05 J/mol×K 858.71 Joback Calculated Property
Cp,gas 759.92 J/mol×K 896.20 Joback Calculated Property

Similar Compounds

Cyperotundone. Cyperorotundene. Cyperenal. Aromadendr-1(10)-en-9-one (squamulosone). 13-nor-cis-eudesm-6-en-11-one. «beta»-patchoulene isomer. Patchoulene. 4,7-Methanoazulene, 1,2,3,4,5,6,7,8-octahydro-1,4,9,9-tetramethyl-, [1S-(1«alpha»,4«alpha»,7«alpha»)]-. Ginsinsene. Guaja-1(10),11-dien-9-one. Patchoulenone. Guaia-1(10),11-dien-15-al. Guaja-1(10),11-dien-15-al. 3H-3a,7-Methanoazulene,2,4,5,6,7,8-hexahydro-1,4,9,9-tetramethyl-. «alpha»-Cyperene.

Find more compounds similar to 1-(2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)ethan-1-one.

Sources

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