Chemical Properties of 6,7-dimethyl-2,3,6,7-tetrahydro-cyclopent[b]azepin-8(1H)-one

6,7-dimethyl-2,3,6,7-tetrahydro-cyclopent[b]azepin-8(1H)-one

InChI
InChI=1S/C11H15NO/c1-7-8(2)11(13)10-9(7)5-3-4-6-12-10/h3,5,7-8,12H,4,6H2,1-2H3
InChI Key
IWVJMIGICFUHHO-UHFFFAOYSA-N
Formula
C11H15NO
SMILES
CC1C(=O)C2=C(C=CCCN2)C1C
Molecular Weight1
177.24
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Physical Properties

Property Value Unit Source
ΔfusH° 22.88 kJ/mol Joback Calculated Property
logPoct/wat 1.645 Crippen Calculated Property
McVol 147.080 ml/mol McGowan Calculated Property
Inp [1725.00; 1725.00]   Show Hide
Inp 1725.00 NIST
Inp 1725.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [188.01; 515.09] 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-3.05700e+01
Coefficient B8.99540e-01
Coefficient C-3.65280e-04
Coefficient D1.14000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 188.01 J/mol×K 273.00 Calculated Property
Cp,gas 242.45 J/mol×K 353.78 Calculated Property
Cp,gas 292.29 J/mol×K 434.56 Calculated Property
Cp,gas 337.55 J/mol×K 515.33 Calculated Property
Cp,gas 378.27 J/mol×K 596.11 Calculated Property
Cp,gas 414.49 J/mol×K 676.89 Calculated Property
Cp,gas 446.25 J/mol×K 757.67 Calculated Property
Cp,gas 473.58 J/mol×K 838.44 Calculated Property
Cp,gas 496.51 J/mol×K 919.22 Calculated Property
Cp,gas 515.09 J/mol×K 1000.00 Calculated Property

Similar Compounds

1-Methyl-6«alpha»,7«alpha»-dihydroxyestrone, TMS. 5,6-Dihydrouracil riboside, TMS. norbormide. ethyl eburnamenine-14-carboxylate. Colchiceine. Nicodicodine. Mephenesin, 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. BUPRENORPHINE. Etorphine. Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Hydromorphone, tert-butyldimethylsilyl ether. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Deserpidine. Galantamin.

Find more compounds similar to 6,7-dimethyl-2,3,6,7-tetrahydro-cyclopent[b]azepin-8(1H)-one.

Sources

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