Chemical Properties of Quinoline, 2-butyl-3-methyl- (CAS 1531-62-0)

InChI

InChI=1S/C14H17N/c1-3-4-8-13-11(2)10-12-7-5-6-9-14(12)15-13/h5-7,9-10H,3-4,8H2,1-2H3

InChI Key

VVRRMVOHADLIPW-UHFFFAOYSA-N

Formula

C14H17N

SMILES

CCCCc1nc2ccccc2cc1C

Molecular Weight¹

199.29

CAS

1531-62-0

• ω : Acentric Factor.
• 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
ω	0.5500		Relay (1.0) Calculated Property
ΔfH°gas	84.57	kJ/mol	Relay (1.0) Calculated Property
IE	8.17	eV	Relay (1.0) Calculated Property
log10WS	-3.66		Relay (1.0) Calculated Property
logPoct/wat	3.886		Crippen Calculated Property
McVol	174.880	ml/mol	McGowan Calculated Property
Pc	2522.71	kPa	Relay (1.0-beta) Calculated Property
Inp	[1803.00; 1816.00]
Inp	1803.00		NIST
Inp	1816.00		NIST
Inp	1803.00		NIST
Tboil	575.15	K	Relay (1.0) Calculated Property
Tc	816.82	K	Relay (1.0) Calculated Property
Tfus	280.47	K	Relay (1.0) Calculated Property
Vc	0.659	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation 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 Quinoline, 2-butyl-3-methyl-.

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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