Chemical Properties of Quinoline, 2-(2-methylpropyl)- (CAS 93-19-6)

InChI

InChI=1S/C13H15N/c1-10(2)9-12-8-7-11-5-3-4-6-13(11)14-12/h3-8,10H,9H2,1-2H3

InChI Key

FAQVGPWFQGGIPP-UHFFFAOYSA-N

Formula

C13H15N

SMILES

CC(C)Cc1ccc2ccccc2n1

Molecular Weight¹

185.26

CAS

93-19-6

Other Names

• Quinoline, 2-isobutyl-
• 2-Isobutylquinoline
• «alpha»-Isobutylquinoline

• ω : Acentric Factor.
• 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	0.4906		Relay (1.0) Calculated Property
ΔfH°gas	86.05	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	72.52	kJ/mol	Relay (1.0) Calculated Property
IE	8.40	eV	Relay (1.0) Calculated Property
log10WS	-3.13		Relay (1.0) Calculated Property
logPoct/wat	3.433		Crippen Calculated Property
McVol	160.790	ml/mol	McGowan Calculated Property
Pc	2793.26	kPa	Relay (1.0-beta) Calculated Property
Inp	[1501.00; 1515.00]
Inp	1501.00		NIST
Inp	1515.00		NIST
Inp	1501.00		NIST
Inp	1515.00		NIST
Inp	1501.00		NIST
I	[2048.00; 2077.00]
I	2048.00		NIST
I	2077.00		NIST
I	2048.00		NIST
I	2077.00		NIST
I	2048.00		NIST
I	2077.00		NIST
I	2048.00		NIST
I	2077.00		NIST
Tboil	551.59	K	Relay (1.0) Calculated Property
Tc	803.79	K	Relay (1.0) Calculated Property
Tfus	285.53	K	Relay (1.0) Calculated Property
Vc	0.602	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Similar Compounds

Find more compounds similar to Quinoline, 2-(2-methylpropyl)-.

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.
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