Chemical Properties of Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-3-(phenylmethylene)-

Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-3-(phenylmethylene)-

InChI
InChI=1S/C17H20O/c1-16(2)14-9-10-17(16,3)15(18)13(14)11-12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3/b13-11-
InChI Key
OIQXFRANQVWXJF-QBFSEMIESA-N
Formula
C17H20O
SMILES
CC12CCC(/C(=C/c3ccccc3)C1=O)C2(C)C
Molecular Weight1
240.35
Other Names
  • 2-Bornanone, 3-benzylidene-
  • Benzylidenecamphor
  • 1,7,7-Trimethylbicyclo[2.2.1]heptan-2-one-3-benzylidene
  • 3-Benzylidene-2-bornanone
  • 3-Benzylidenecamphor
  • 1,7,7-trimethyl-3-(phenylmethylene)bicyclo[2.2.1]heptan-2-one
  • (Z)-3-Benzylidene-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
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Physical Properties

Property Value Unit Source
ΔfusH° 16.30 kJ/mol Joback Calculated Property
logPoct/wat 4.095 Crippen Calculated Property
McVol 202.180 ml/mol McGowan Calculated Property
Inp [1944.70; 1944.70]   Show Hide
Inp 1944.70 NIST
Inp 1944.70 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [250.17; 725.57] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.98590e+02
Coefficient B2.14366e+00
Coefficient C-2.06050e-03
Coefficient D8.41000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 250.17 J/mol×K 273.00 Calculated Property
Cp,gas 339.14 J/mol×K 353.78 Calculated Property
Cp,gas 412.86 J/mol×K 434.56 Calculated Property
Cp,gas 474.00 J/mol×K 515.33 Calculated Property
Cp,gas 525.22 J/mol×K 596.11 Calculated Property
Cp,gas 569.18 J/mol×K 676.89 Calculated Property
Cp,gas 608.53 J/mol×K 757.67 Calculated Property
Cp,gas 645.94 J/mol×K 838.44 Calculated Property
Cp,gas 684.07 J/mol×K 919.22 Calculated Property
Cp,gas 725.57 J/mol×K 1000.00 Calculated Property

Similar Compounds

1,2,4a,6a,6b,9-Hexamethyl-1,2,3,4,4 a,5,6,6a,6b,7,8,12b,13,14b-tetradecahydro-picene. 2,2,4a,6a,6b,9-Hexamethyl-1,2,3,4,4 a,5,6,6a,6b,7,8,12b,13,14b-tetradecahydro-picene. Oestrone, 6-dehydro, TFA. Estra-1,3,5(10),6-tetraen-17-one, 3-[(trimethylsilyl)oxy]-. Estra-1,3,5(10)-trien-17-one, 1-methyl-3,6,7-tris[(trifluoroacetyl)oxy]-, (6«alpha»,7«alpha»)-. GA3-13-O-glucoside, permethylated. 1-«beta»-Hydroxy-GA5, MeTMSi. 1-«alpha»-Hydroxy-GA5, MeTMSi. GA92 (1«beta»OH-GA5), Me-TMS. SCHEMBL9488362. 6H-Dibenzo[b,d]pyran, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-1-[(trimethylsilyl)oxy]-, (6aR-trans)-. 1-Tetrahydrocannabinol, TMS. Heptyl-1-tetrahydrocannabinol, TMS. Cannabinol, TMS. Propyl-1-tetrahydrocannabinol, TMS.

Find more compounds similar to Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-3-(phenylmethylene)-.

Sources

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