Chemical Properties of 5-methyl-1,2,3,4,5,6-hexahydro-7H-cyclopenta[b]pyridin-7-one

InChI

InChI=1S/C9H13NO/c1-6-5-8(11)9-7(6)3-2-4-10-9/h6,10H,2-5H2,1H3

InChI Key

VLZZXKFOOXABOV-UHFFFAOYSA-N

Formula

C9H13NO

SMILES

CC1CC(=O)C2=C1CCCN2

Molecular Weight¹

151.21

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	17.51	kJ/mol	Joback Calculated Property
logPoct/wat	1.233		Crippen Calculated Property
McVol	123.200	ml/mol	McGowan Calculated Property
Inp	[1438.00; 1438.00]
Inp	1438.00		NIST
Inp	1438.00		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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[303.34; 389.56]	J/mol×K	[561.97; 806.33]
Cp,gas	303.34	J/mol×K	561.97	Joback Calculated Property
Cp,gas	320.11	J/mol×K	602.70	Joback Calculated Property
Cp,gas	335.89	J/mol×K	643.42	Joback Calculated Property
Cp,gas	350.72	J/mol×K	684.15	Joback Calculated Property
Cp,gas	364.59	J/mol×K	724.87	Joback Calculated Property
Cp,gas	377.53	J/mol×K	765.60	Joback Calculated Property
Cp,gas	389.56	J/mol×K	806.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-methyl-1,2,3,4,5,6-hexahydro-7H-cyclopenta[b]pyridin-7-one.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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