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

• Δ_fH°_gas : Enthalpy of formation 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
ΔfH°gas	180.27	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	3713.33	kPa	Relay (1.0-beta) Calculated Property
Inp	328.81		NIST
Tboil	630.30	K	Relay (1.0) Calculated Property
Tc	916.22	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	0.554	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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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