Chemical Properties of 2H-Azepine, 3,4,5,6-tetrahydro-7-methoxy- (CAS 2525-16-8)

InChI

InChI=1S/C7H13NO/c1-9-7-5-3-2-4-6-8-7/h2-6H2,1H3

InChI Key

DNXIQMQGKSQHPC-UHFFFAOYSA-N

Formula

C7H13NO

SMILES

COC1=NCCCCC1

Molecular Weight¹

127.18

CAS

2525-16-8

Other Names

• 1-Aza-2-methoxy-1-cycloheptane
• 2-Methoxy-1-azacycloheptene
• 2-Methoxy-4,5,6,7-tetrahydro-3H-azepine
• 3,4,5,6-Tetrahydro-7-methoxy-2H-azepine
• 7-Methoxy-3,4,5,6-tetrahydro-2H-azepine
• Caprolactim methyl ether
• Caprolactim-O-methyl ether
• NSC 31263
• NSC 523095
• O-Methyl-«epsilon»-caprolactim
• O-Methylcaprolactim
• O-Methylhexanolactim
• methyl 3,4,5,6-tetrahydro-7H-azepin-2-yl ether
• «epsilon»-Caprolactim methyl ether

• 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).
• T_boilr : Boiling point at reduced pressure (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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	[239.16; 328.65]	J/mol×K	[468.31; 695.53]
Cp,gas	239.16	J/mol×K	468.31	Joback Calculated Property
Cp,gas	256.05	J/mol×K	506.18	Joback Calculated Property
Cp,gas	272.17	J/mol×K	544.05	Joback Calculated Property
Cp,gas	287.51	J/mol×K	581.92	Joback Calculated Property
Cp,gas	302.05	J/mol×K	619.79	Joback Calculated Property
Cp,gas	315.77	J/mol×K	657.66	Joback Calculated Property
Cp,gas	328.65	J/mol×K	695.53	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 2H-Azepine, 3,4,5,6-tetrahydro-7-methoxy-.

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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