Chemical Properties of N-butyl-tetrahydrocarbazole

InChI

InChI=1S/C16H21N/c1-2-3-12-17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17/h4,6,8,10H,2-3,5,7,9,11-12H2,1H3

InChI Key

PCGUZWDQIOEQQC-UHFFFAOYSA-N

Formula

C16H21N

SMILES

CCCCn1c2c(c3ccccc31)CCCC2

Molecular Weight¹

227.34

• 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.
• I : 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	0.6165		Relay (1.0) Calculated Property
ΔfG°	293.63	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	24.21	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	86.48	kJ/mol	Relay (1.0) Calculated Property
IE	7.41	eV	Relay (1.0) Calculated Property
log10WS	-4.88		Relay (1.0) Calculated Property
logPoct/wat	4.320		Crippen Calculated Property
McVol	196.500	ml/mol	McGowan Calculated Property
Pc	1868.69	kPa	Relay (1.0-beta) Calculated Property
Inp	[2016.00; 2016.00]
Inp	2016.00		NIST
Inp	2016.00		NIST
I	[2723.00; 2772.00]
I	2723.00		NIST
I	2772.00		NIST
I	2723.00		NIST
Tboil	624.57	K	Relay (1.0) Calculated Property
Tc	863.68	K	Relay (1.0) Calculated Property
Tfus	321.86	K	Relay (1.0) Calculated Property
Vc	0.750	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to N-butyl-tetrahydrocarbazole.

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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