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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	93.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-146.68	kJ/mol	Joback Calculated Property
ΔfusH°	17.51	kJ/mol	Joback Calculated Property
ΔvapH°	48.90	kJ/mol	Joback Calculated Property
log10WS	-1.96		Crippen Calculated Property
logPoct/wat	1.233		Crippen Calculated Property
McVol	123.200	ml/mol	McGowan Calculated Property
Pc	3682.02	kPa	Joback Calculated Property
Inp	[1438.00; 1438.00]
Inp	1438.00		NIST
Inp	1438.00		NIST
Tboil	561.77	K	Joback Calculated Property
Tc	806.04	K	Joback Calculated Property
Tfus	419.80	K	Joback Calculated Property
Vc	0.461	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[303.25; 389.48]	J/mol×K	[561.77; 806.04]
Cp,gas	303.25	J/mol×K	561.77	Joback Calculated Property
Cp,gas	320.02	J/mol×K	602.48	Joback Calculated Property
Cp,gas	335.81	J/mol×K	643.19	Joback Calculated Property
Cp,gas	350.63	J/mol×K	683.90	Joback Calculated Property
Cp,gas	364.51	J/mol×K	724.62	Joback Calculated Property
Cp,gas	377.45	J/mol×K	765.33	Joback Calculated Property
Cp,gas	389.48	J/mol×K	806.04	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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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