Chemical Properties of Dibenzo(b,def)carbazole (CAS 104313-09-9)

InChI

InChI=1S/C18H11N/c1-2-6-13-12(4-1)10-16-18-14(13)9-8-11-5-3-7-15(19-16)17(11)18/h1-10,19H

InChI Key

MOBQGBVFDKCBQD-UHFFFAOYSA-N

Formula

C18H11N

SMILES

c1ccc2c(c1)cc1[nH]c3cccc4ccc2c1c43

Molecular Weight¹

241.29

CAS

104313-09-9

• 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	0.6146		Relay (1.0) Calculated Property
ΔfG°	399.47	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	327.46	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	120.43	kJ/mol	Relay (1.0) Calculated Property
IE	6.97	eV	Relay (1.0) Calculated Property
log10WS	-6.91		Relay (1.0) Calculated Property
logPoct/wat	4.583		Crippen Calculated Property
McVol	181.460	ml/mol	McGowan Calculated Property
Pc	2717.20	kPa	Relay (1.0-beta) Calculated Property
Inp	[458.20; 2489.00]
Inp	2489.00		NIST
Inp	458.20		NIST
Inp	458.20		NIST
Inp	2489.00		NIST
Tboil	741.09	K	Relay (1.0) Calculated Property
Tc	1105.76	K	Relay (1.0) Calculated Property
Tfus	528.33	K	Relay (1.0) Calculated Property
Vc	0.721	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Dibenzo(b,def)carbazole.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.