Chemical Properties of 2H-Azepin-2-one, hexahydro-7-methyl- (CAS 1985-48-4)

InChI

InChI=1S/C7H13NO/c1-6-4-2-3-5-7(9)8-6/h6H,2-5H2,1H3,(H,8,9)

InChI Key

JAWSTIJAWZBKOU-UHFFFAOYSA-N

Formula

C7H13NO

SMILES

CC1CCCCC(=O)N1

Molecular Weight¹

127.18

CAS

1985-48-4

Other Names

• 6-Methyl-6-caprolactam
• 7-Methylcaprolactam
• Hexahydro-7-methyl-2H-azepin-2-one
• «epsilon»-Methylcaprolactam

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[245.43; 336.85]	J/mol×K	[499.95; 739.21]
Cp,gas	245.43	J/mol×K	499.95	Joback Calculated Property
Cp,gas	262.68	J/mol×K	539.83	Joback Calculated Property
Cp,gas	279.18	J/mol×K	579.70	Joback Calculated Property
Cp,gas	294.88	J/mol×K	619.58	Joback Calculated Property
Cp,gas	309.75	J/mol×K	659.46	Joback Calculated Property
Cp,gas	323.75	J/mol×K	699.33	Joback Calculated Property
Cp,gas	336.85	J/mol×K	739.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2H-Azepin-2-one, hexahydro-7-methyl-.

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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