Chemical Properties of 5H-Dibenz[c,e]azepine, 6,7-dihydro-6-(2-propenyl)- (CAS 146-36-1)

InChI

InChI=1S/C17H17N/c1-2-11-18-12-14-7-3-5-9-16(14)17-10-6-4-8-15(17)13-18/h2-10H,1,11-13H2

InChI Key

NYGHGTMKALXFIA-UHFFFAOYSA-N

Formula

C17H17N

SMILES

C=CCN1Cc2ccccc2-c2ccccc2C1

Molecular Weight¹

235.32

CAS

146-36-1

Other Names

• 5H-Dibenz(c,e)azepine, 6-allyl-6,7-dihydro-
• 6-Allil-6,7-diidro-5H-dibenzo(c,l)azepina
• 6-Allyl-6,7-dihydro-5H-dibenz(c,e)azepine
• Azapetina
• Azapetine
• 5H-Dibenz(c,e)azepine, 6,7-dihydro-6-allyl-
• Ilidar base
• 1-Allyl-2,7-dihydro-3,4:5,6-dibenzazepine

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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	0.4657		Relay (1.0) Calculated Property
ΔfG°	412.50	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	288.51	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	95.68	kJ/mol	Relay (1.0) Calculated Property
IE	7.92	eV	Relay (1.0) Calculated Property
log10WS	-3.33		Relay (1.0) Calculated Property
logPoct/wat	3.855		Crippen Calculated Property
McVol	197.690	ml/mol	McGowan Calculated Property
Pc	2292.99	kPa	Relay (1.0-beta) Calculated Property
Inp	[1917.00; 1975.00]
Inp	1917.00		NIST
Inp	1925.00		NIST
Inp	1955.00		NIST
Inp	1975.00		NIST
Inp	1939.00		NIST
Tboil	647.01	K	Relay (1.0) Calculated Property
Tc	875.92	K	Relay (1.0) Calculated Property
Tfus	349.74	K	Relay (1.0) Calculated Property
Vc	0.700	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 5H-Dibenz[c,e]azepine, 6,7-dihydro-6-(2-propenyl)-.

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
• McGowan Method
• NIST Webbook

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