Chemical Properties of Isoacorone (CAS 6168-64-5)

Isoacorone

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InChI
InChI=1S/C15H24O2/c1-9(2)14-12(16)7-11(4)15(14)6-5-10(3)13(17)8-15/h9-11,14H,5-8H2,1-4H3/t10-,11+,14+,15+/m0/s1
InChI Key
AGUISGUERLMHFF-RBDSIQFVSA-N
Formula
C15H24O2
SMILES
CC1CCC2(CC1=O)C(C)CC(=O)C2C(C)C
Molecular Weight1
236.35
CAS
6168-64-5
Other Names
  • [1R-(1«alpha»,4«beta»,5«beta»,8S*)]-1-isopropyl-4,8-dimethylspiro[4.5]decane-2,7-dione
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Physical Properties

Property Value Unit Source
Δf -120.01 kJ/mol Joback Calculated Property
Δfgas -538.09 kJ/mol Joback Calculated Property
Δfus 13.82 kJ/mol Joback Calculated Property
Δvap 55.83 kJ/mol Joback Calculated Property
log10WS -3.24 Crippen Calculated Property
logPoct/wat 3.243 Crippen Calculated Property
McVol 203.630 ml/mol McGowan Calculated Property
Pc 1991.21 kPa Joback Calculated Property
Inp [1771.00; 1820.00]   Show Hide
Inp 1820.00 NIST
Inp 1771.00 NIST
Inp 1813.00 NIST
Inp 1813.00 NIST
Inp 1820.00 NIST
Tboil 699.26 K Joback Calculated Property
Tc 941.42 K Joback Calculated Property
Tfus 417.47 K Joback Calculated Property
Vc 0.761 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [628.74; 754.08] J/mol×K [699.26; 941.42] Show Hide
Cp,gas 628.74 J/mol×K 699.26 Joback Calculated Property
Cp,gas 652.57 J/mol×K 739.62 Joback Calculated Property
Cp,gas 675.10 J/mol×K 779.98 Joback Calculated Property
Cp,gas 696.41 J/mol×K 820.34 Joback Calculated Property
Cp,gas 716.60 J/mol×K 860.70 Joback Calculated Property
Cp,gas 735.80 J/mol×K 901.06 Joback Calculated Property
Cp,gas 754.08 J/mol×K 941.42 Joback Calculated Property

Similar Compounds

Acorone. Isocamphone. Cholestan-6-one, (5«alpha»)-. Bicyclo[2.2.1]heptan-2-one, 5,5,6-trimethyl-, endo-. Bicyclo[2.2.1]heptan-2-one, 7,7-dimethyl-. Capnellane-8-one. 22-Ketocholest-3-one. Cedranone. 9-Cedranone. Androstane, 3,17-dione, (5alpha), 2alpha-methyl-. Isolongifolanone. Spiro[4.5]decan-7-one, 1,8-dimethyl-4-(1-methylethyl)-. Bicyclo[2.2.1]heptan-2-one, 4,7,7-trimethyl-, (1R)-. Bicyclo[2.2.1]heptan-2-one, 4,7,7-trimethyl-, (1S)-. 15-nor-Funebran-3-one.

Find more compounds similar to Isoacorone.

Sources

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