Chemical Properties of 9H-Carbazole, 9-butyl- (CAS 1484-08-8)

InChI

InChI=1S/C16H17N/c1-2-3-12-17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17/h4-11H,2-3,12H2,1H3

InChI Key

SQFONLULGFXJAA-UHFFFAOYSA-N

Formula

C16H17N

SMILES

CCCCn1c2ccccc2c2ccccc21

Molecular Weight¹

223.31

CAS

1484-08-8

Other Names

• N-Butyl-carbazole
• 9-butyl-9H-carbazole

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	136.85	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	89.53	kJ/mol	Relay (1.0) Calculated Property
IE	7.20	eV	Relay (1.0) Calculated Property
logPoct/wat	4.595		Crippen Calculated Property
McVol	187.900	ml/mol	McGowan Calculated Property
Inp	2024.00		NIST
I	[2834.00; 2884.00]
I	2834.00		NIST
I	2884.00		NIST
I	2834.00		NIST
Tfus	331.00 ± 4.00	K	NIST

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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 9H-Carbazole, 9-butyl-.

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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