Chemical Properties of 2,3,4,5,6,7-hexahydro-cyclopent[b]azepin-8(1H)-one

2,3,4,5,6,7-hexahydro-cyclopent[b]azepin-8(1H)-one

InChI
InChI=1S/C9H13NO/c11-8-5-4-7-3-1-2-6-10-9(7)8/h10H,1-6H2
InChI Key
XZTJVKYWRODILK-UHFFFAOYSA-N
Formula
C9H13NO
SMILES
O=C1CCC2=C1NCCCC2
Molecular Weight1
151.21
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Physical Properties

Property Value Unit Source
ω 0.4281 Relay (1.0) Calculated Property
ΔfG° 89.24 kJ/mol Joback Calculated Property
ΔfH°gas -110.37 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 14.34 kJ/mol Joback Calculated Property
ΔvapH° 68.70 kJ/mol Relay (1.0) Calculated Property
IE 8.08 eV Relay (1.0) Calculated Property
log10WS -1.65 Relay (1.0) Calculated Property
logPoct/wat 1.377 Crippen Calculated Property
McVol 123.200 ml/mol McGowan Calculated Property
Pc 3955.54 kPa Joback Calculated Property
Inp 1478.00 NIST
Tboil 543.46 K Relay (1.0) Calculated Property
Tc 803.47 K Relay (1.0) Calculated Property
Tfus 422.20 K Relay (1.0) Calculated Property
Vc 0.410 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [302.34; 390.31] J/mol×K [570.71; 824.07] Show Hide
Cp,gas 302.34 J/mol×K 570.71 Joback Calculated Property
Cp,gas 319.68 J/mol×K 612.94 Joback Calculated Property
Cp,gas 335.92 J/mol×K 655.16 Joback Calculated Property
Cp,gas 351.09 J/mol×K 697.39 Joback Calculated Property
Cp,gas 365.20 J/mol×K 739.62 Joback Calculated Property
Cp,gas 378.26 J/mol×K 781.84 Joback Calculated Property
Cp,gas 390.31 J/mol×K 824.07 Joback Calculated Property

Similar Compounds

1,2,3,4,5,6-hexahydro-7H-cyclopenta[b]pyridin-7-one. 7-methyl-2,3,4,5,6,7-hexahydrocyclopent[b]azepin-8(1H)-one. 6-methyl-1,2,3,4,5,6-hexahydro-7H-cyclopenta[b]pyridin-7-one. 5-methyl-1,2,3,4,5,6-hexahydro-7H-cyclopenta[b]pyridin-7-one. 6-ethyl-1,2,3,4,5,6-hexahydro-7H-cyclopenta[b]pyridin-7-one. 5-(1-hydroxyethylidene)-hexahydro-7H-cyclopenta[b]pyridin-7-one. 6,7-dimethyl-2,3,6,7-tetrahydro-cyclopent[b]azepin-8(1H)-one. 9-(2-hydroxy-3-methylbutyryl)-retronecine. Acetylerucifoline. Butanoic acid, 2-(1-methylethyl)-2,3-bis[(trimethylsilyl)oxy]-, [2,3,5,7a-tetrahydro-1-[(trimethylsilyl)oxy]-1H-pyrrolizin-7-yl]methy l ester, [1R-[1«alpha»,7(2R*,3S*),7a«beta»]]-. Supinine, diTMS. 7-Angeloyl-9-methylbutyrylheliotridine. Ethyl 2-(methylamino)-1-phenyl-3-cyclohexene-1-carboxylate. Creatonotine. Isocallimorphine.

Find more compounds similar to 2,3,4,5,6,7-hexahydro-cyclopent[b]azepin-8(1H)-one.

Sources

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