Chemical Properties of Quinoline, 3,6-dimethyl- (CAS 20668-26-2)

InChI

InChI=1S/C11H11N/c1-8-3-4-11-10(5-8)6-9(2)7-12-11/h3-7H,1-2H3

InChI Key

XEDLZYLCKAHYHR-UHFFFAOYSA-N

Formula

C11H11N

SMILES

Cc1ccc2ncc(C)cc2c1

Molecular Weight¹

157.21

CAS

20668-26-2

Other Names

• 3,6-dimethylquinoline

• 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).
• P_vap : Vapor 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	0.4506		Relay (1.0) Calculated Property
ΔfG°	230.97	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	134.96	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	69.46	kJ/mol	Relay (1.0) Calculated Property
IE	8.42	eV	Relay (1.0) Calculated Property
log10WS	-2.44		Relay (1.0) Calculated Property
logPoct/wat	2.852		Crippen Calculated Property
McVol	132.610	ml/mol	McGowan Calculated Property
Pc	3912.35	kPa	Relay (1.0-beta) Calculated Property
Inp	[1417.00; 1429.00]
Inp	1417.00		NIST
Inp	1418.00		NIST
Inp	1420.00		NIST
Inp	1427.00		NIST
Inp	1429.00		NIST
Tboil	549.16	K	Relay (1.0) Calculated Property
Tc	807.89	K	Relay (1.0) Calculated Property
Tfus	331.00 ± 4.00	K	NIST
Vc	0.509	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[401.02; 574.80]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42407e+01
Coefficient B			-4.30975e+03
Coefficient C			-9.21460e+01
Temperature range, min.			401.02
Temperature range, max.			574.80
Pvap	1.33	kPa	401.02	Calculated Property
Pvap	3.03	kPa	420.33	Calculated Property
Pvap	6.29	kPa	439.64	Calculated Property
Pvap	12.07	kPa	458.95	Calculated Property
Pvap	21.73	kPa	478.26	Calculated Property
Pvap	36.98	kPa	497.56	Calculated Property
Pvap	59.95	kPa	516.87	Calculated Property
Pvap	93.21	kPa	536.18	Calculated Property
Pvap	139.67	kPa	555.49	Calculated Property
Pvap	202.64	kPa	574.80	Calculated Property

Similar Compounds

Find more compounds similar to Quinoline, 3,6-dimethyl-.

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
• The Yaws Handbook of Vapor Pressure

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