Chemical Properties of 5H-Dibenz[b,f]azepine, 10,11-dihydro- (CAS 494-19-9)

InChI

InChI=1S/C14H13N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-8,15H,9-10H2

InChI Key

ZSMRRZONCYIFNB-UHFFFAOYSA-N

Formula

C14H13N

SMILES

c1ccc2c(c1)CCc1ccccc1N2

Molecular Weight¹

195.26

CAS

494-19-9

Other Names

• 10,11-Dihydro-5-dibenz(b,f)azepine
• 10,11-Dihydro-5H-dibenz[b,f]azepine
• 10,11-dihydro-5H-dibenzo[b,f]azepine
• 10,11-dihydrodibenz[b,f]azepine
• 2,2'-Iminobibenzyl
• 2,2'-iminodibenzyl
• 5H-Dibenzo[b,f]azepine, 10,11-dihydro-
• Iminodibenzyyl
• NSC 72110
• RP 23669
• iminobibenzyl
• iminodibenzyl

• 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
ΔfG°	428.73	kJ/mol	Joback Calculated Property
ΔfH°gas	248.78	kJ/mol	Joback Calculated Property
ΔfusH°	25.97	kJ/mol	Joback Calculated Property
ΔvapH°	59.61	kJ/mol	Joback Calculated Property
IE	7.25	eV	NIST
log10WS	-3.94		Crippen Calculated Property
logPoct/wat	3.529		Crippen Calculated Property
McVol	159.720	ml/mol	McGowan Calculated Property
Pc	3295.37	kPa	Joback Calculated Property
Inp	[1931.00; 1980.00]
Inp	1931.00		NIST
Inp	1931.00		NIST
Inp	1931.00		NIST
Inp	Outlier 1980.00		NIST
Inp	1931.00		NIST
Inp	1931.00		NIST
Tboil	643.00	K	Joback Calculated Property
Tc	905.54	K	Joback Calculated Property
Tfus	452.63	K	Joback Calculated Property
Vc	0.599	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[399.28; 481.36]	J/mol×K	[643.00; 905.54]
Cp,gas	399.28	J/mol×K	643.00	Joback Calculated Property
Cp,gas	416.02	J/mol×K	686.76	Joback Calculated Property
Cp,gas	431.36	J/mol×K	730.51	Joback Calculated Property
Cp,gas	445.45	J/mol×K	774.27	Joback Calculated Property
Cp,gas	458.39	J/mol×K	818.03	Joback Calculated Property
Cp,gas	470.32	J/mol×K	861.78	Joback Calculated Property
Cp,gas	481.36	J/mol×K	905.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5H-Dibenz[b,f]azepine, 10,11-dihydro-.

Mixtures

• Ethanol + Water + 5H-Dibenz[b,f]azepine, 10,11-dihydro-
• 1,2-Ethanediol + Water + 5H-Dibenz[b,f]azepine, 10,11-dihydro-
• Dimethyl Sulfoxide + Water + 5H-Dibenz[b,f]azepine, 10,11-dihydro-
• Isopropyl Alcohol + Water + 5H-Dibenz[b,f]azepine, 10,11-dihydro-
• Water + 5H-Dibenz[b,f]azepine, 10,11-dihydro-
• Ethanol + 5H-Dibenz[b,f]azepine, 10,11-dihydro-
• 1,2-Ethanediol + 5H-Dibenz[b,f]azepine, 10,11-dihydro-
• Dimethyl Sulfoxide + 5H-Dibenz[b,f]azepine, 10,11-dihydro-
• Isopropyl Alcohol + 5H-Dibenz[b,f]azepine, 10,11-dihydro-

Sources

• Crippen Method
• Crippen Method
• Equilibrium solubility determination, modelling and preferential solvation of bioactive iminodibenzyl in aqueous co-solvent mixtures at various temperatures
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.