Chemical Properties of 1H-Carbazole, 2,3,4,9-tetrahydro- (CAS 942-01-8)

InChI

InChI=1S/C12H13N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,3,5,7,13H,2,4,6,8H2

InChI Key

XKLNOVWDVMWTOB-UHFFFAOYSA-N

Formula

C12H13N

SMILES

c1ccc2c3c([nH]c2c1)CCCC3

Molecular Weight¹

171.24

CAS

942-01-8

Other Names

• Carbazole, 1,2,3,4-tetrahydro-
• 1,2,3,4-Tetrahydrocarbazole
• 1H-Indole, 2,3-(1,4-butanediyl)-
• 2,3-Tetramethylene-1H-indole
• 2,3-Tetramethyleneindole
• Carbazole, 5,6,7,8-tetrahydro-
• 5,6,7,8-Tetrahydrocarbazole
• Tetrahydrocarbazole
• NSC 17329

• 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	110.67	kJ/mol	Relay (1.0) Calculated Property
IE	7.58	eV	Relay (1.0) Calculated Property
log10WS	-3.77		Relay (1.0) Calculated Property
logPoct/wat	2.565		Crippen Calculated Property
McVol	140.140	ml/mol	McGowan Calculated Property
Pc	3530.20	kPa	Relay (1.0-beta) Calculated Property
Inp	[306.76; 1811.80]
Inp	1809.00		NIST
Inp	1800.40		NIST
Inp	1800.00		NIST
Inp	1786.60		NIST
Inp	1800.40		NIST
Inp	1811.80		NIST
Inp	1786.60		NIST
Inp	1800.40		NIST
Inp	1811.80		NIST
Inp	1800.40		NIST
Inp	1800.00		NIST
Inp	Outlier 306.76		NIST
Inp	Outlier 306.76		NIST
Tboil	600.70	K	NIST
Tc	877.15	K	Relay (1.0) Calculated Property
Tfus	391.60	K	Relay (1.0) Calculated Property
Vc	0.524	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 1H-Carbazole, 2,3,4,9-tetrahydro-.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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