Chemical Properties of 5H-Dibenz[b,f]azepine-5-carboxamide, 10,11-dihydro-10-hydroxy- (CAS 29331-92-8)

InChI

InChI=1S/C15H14N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8,14,18H,9H2,(H2,16,19)

InChI Key

BMPDWHIDQYTSHX-UHFFFAOYSA-N

Formula

C15H14N2O2

SMILES

NC(=O)N1c2ccccc2CC(O)c2ccccc21

Molecular Weight¹

254.28

CAS

29331-92-8

Other Names

• ALCOL RACEMO
• 10,11-Dihydro-10-hydroxycarbamazepine

• 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	0.8469		Relay (... Calculated Property
ΔfG°	160.73	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-176.08	kJ/mol	Relay (... Calculated Property
ΔvapH°	118.81	kJ/mol	Relay (... Calculated Property
IE	8.03	eV	Relay (... Calculated Property
log10WS	-2.61		Relay (... Calculated Property
logPoct/wat	2.493		Crippen Calculated Property
McVol	191.230	ml/mol	McGowan Calculated Property
Pc	3340.29	kPa	Relay (... Calculated Property ⚠️
Inp	[2527.90; 2527.90]
Inp	2527.90		NIST
Inp	2527.90		NIST
Tboil	649.91	K	Relay (... Calculated Property
Tc	1042.43	K	Relay (... Calculated Property
Tfus	459.43	K	Relay (... Calculated Property
Vc	0.688	m3/kmol	Relay (... Calculated Property

Similar Compounds

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

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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