Chemical Properties of Quinoline, 2,6,8-trimethyl- (CAS 2243-90-5)

InChI

InChI=1S/C12H13N/c1-8-6-9(2)12-11(7-8)5-4-10(3)13-12/h4-7H,1-3H3

InChI Key

TYDCAWVQILIWGV-UHFFFAOYSA-N

Formula

C12H13N

SMILES

Cc1cc(C)c2nc(C)ccc2c1

Molecular Weight¹

171.24

CAS

2243-90-5

Other Names

• 2,6,8-trimethylquinoline

• 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	0.4777		Relay (... Calculated Property
ΔfG°	220.54	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	105.50	kJ/mol	Relay (... Calculated Property
ΔvapH°	72.19	kJ/mol	Relay (... Calculated Property
IE	8.13	eV	Relay (... Calculated Property
log10WS	-2.56		Relay (... Calculated Property
logPoct/wat	3.160		Crippen Calculated Property
McVol	146.700	ml/mol	McGowan Calculated Property
Pc	3437.18	kPa	Relay (... Calculated Property ⚠️
Inp	[1461.00; 1475.00]
Inp	1461.00		NIST
Inp	1475.00		NIST
Inp	1461.00		NIST
Inp	1475.00		NIST
I	[2018.00; 2042.00]
I	2018.00		NIST
I	2040.00		NIST
I	2018.00		NIST
I	2042.00		NIST
I	2018.00		NIST
I	2042.00		NIST
I	2018.00		NIST
I	2042.00		NIST
Tboil	533.00 ± 3.00	K	NIST
Tc	804.37	K	Relay (... Calculated Property
Tfus	319.00 ± 4.00	K	NIST
Vc	0.556	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Quinoline, 2,6,8-trimethyl-.

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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