Chemical Properties of 3-Methylcarbazole (CAS 4630-20-0)

InChI

InChI=1S/C13H11N/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2-8,14H,1H3

InChI Key

PHKYYUQQYARDIU-UHFFFAOYSA-N

Formula

C13H11N

SMILES

Cc1ccc2[nH]c3ccccc3c2c1

Molecular Weight¹

181.23

CAS

4630-20-0

Other Names

• 9H-Carbazole, 3-methyl-
• Carbazole, 3-methyl-
• 3-methyl-9H-carbazole

• 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	0.4989		Relay (1.0) Calculated Property
ΔfG°	290.49	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	180.27	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	86.89	kJ/mol	Relay (1.0) Calculated Property
IE	7.29	eV	Relay (1.0) Calculated Property
log10WS	-4.80		Relay (1.0) Calculated Property
logPoct/wat	3.148		Crippen Calculated Property
McVol	145.630	ml/mol	McGowan Calculated Property
Pc	3734.89	kPa	Relay (1.0-beta) Calculated Property
Inp	328.81		NIST
Tboil	630.30	K	Relay (1.0) Calculated Property
Tc	914.95	K	Relay (1.0) Calculated Property
Tfus	[476.15; 479.00]	K
Tfus	479.00 ± 4.00	K	NIST
Tfus	476.15 ± 2.00	K	NIST
Vc	0.555	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 3-Methylcarbazole.

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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