Chemical Properties of 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

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.3944		Relay (1.0) Calculated Property
ΔfG°	120.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-87.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.88	kJ/mol	Joback Calculated Property
ΔvapH°	74.90	kJ/mol	Relay (1.0) Calculated Property
IE	7.93	eV	Relay (1.0) Calculated Property
log10WS	-2.41		Relay (1.0) Calculated Property
logPoct/wat	1.645		Crippen Calculated Property
McVol	147.080	ml/mol	McGowan Calculated Property
Pc	3045.68	kPa	Joback Calculated Property
Inp	[1725.00; 1725.00]
Inp	1725.00		NIST
Inp	1725.00		NIST
Tboil	534.58	K	Relay (1.0) Calculated Property
Tc	788.11	K	Relay (1.0) Calculated Property
Tfus	437.14	K	Relay (1.0) Calculated Property
Vc	0.486	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[383.08; 477.53]	J/mol×K	[606.29; 851.35]
Cp,gas	383.08	J/mol×K	606.29	Joback Calculated Property
Cp,gas	401.67	J/mol×K	647.13	Joback Calculated Property
Cp,gas	419.11	J/mol×K	687.98	Joback Calculated Property
Cp,gas	435.42	J/mol×K	728.82	Joback Calculated Property
Cp,gas	450.58	J/mol×K	769.66	Joback Calculated Property
Cp,gas	464.62	J/mol×K	810.50	Joback Calculated Property
Cp,gas	477.53	J/mol×K	851.35	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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