Chemical Properties of Quinoline, 2,6-dimethyl- (CAS 877-43-0)

InChI

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

InChI Key

JJPSZKIOGBRMHK-UHFFFAOYSA-N

Formula

C11H11N

SMILES

Cc1ccc2nc(C)ccc2c1

Molecular Weight¹

157.21

CAS

877-43-0

Other Names

• 2,6-Dimethylquinoline
• 6-METHYLQUINALDINE
• P-TOLUQUINALDINE
• quinaldine, 6-methyl-

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3700		KDB
ΔcH°solid	-5937.10 ± 2.00	kJ/mol	NIST
ΔfH°gas	120.90 ± 2.90	kJ/mol	NIST
ΔfH°solid	36.40 ± 2.90	kJ/mol	NIST
ΔfusH°	20.42	kJ/mol	Thermod...
ΔsubH°	[84.50; 84.50]	kJ/mol
ΔsubH°	84.50 ± 1.50	kJ/mol	NIST
ΔsubH°	84.50	kJ/mol	NIST
ΔsubH°	84.50 ± 1.50	kJ/mol	NIST
ΔvapH°	67.10 ± 0.20	kJ/mol	NIST
log10WS	-3.99		Crippen Calculated Property
logPoct/wat	2.852		Crippen Calculated Property
McVol	132.610	ml/mol	McGowan Calculated Property
Pc	3900.00	kPa	KDB
Inp	[242.43; 1414.00]
Inp	1397.00		NIST
Inp	1414.00		NIST
Inp	1397.00		NIST
Inp	1414.00		NIST
Inp	1399.00		NIST
Inp	243.76		NIST
Inp	244.19		NIST
Inp	242.43		NIST
Inp	1397.00		NIST
Inp	243.76		NIST
I	[2019.00; 2044.00]
I	2019.00		NIST
I	2044.00		NIST
I	2019.00		NIST
I	2044.00		NIST
I	2019.00		NIST
I	2044.00		NIST
I	2036.00		NIST
Tboil	[538.55; 539.70]	K
Tboil	538.60	K	KDB
Tboil	539.70	K	NIST
Tboil	538.55 ± 0.06	K	NIST
Tboil	539.15 ± 1.00	K	NIST
Tc	804.00	K	KDB
Tfus	288.00	K	KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	20.40	kJ/mol	330.80	NIST
ΔvapH	[46.80; 64.00]	kJ/mol	[464.00; 501.00]
ΔvapH	64.00 ± 0.10	kJ/mol	464.00	NIST
ΔvapH	61.10 ± 0.10	kJ/mol	464.00	NIST
ΔvapH	58.40 ± 0.10	kJ/mol	464.00	NIST
ΔvapH	55.70 ± 0.10	kJ/mol	464.00	NIST
ΔvapH	53.00 ± 0.10	kJ/mol	464.00	NIST
ΔvapH	50.00 ± 0.20	kJ/mol	464.00	NIST
ΔvapH	46.80 ± 0.40	kJ/mol	464.00	NIST
ΔvapH	55.70	kJ/mol	501.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[397.35; 575.75]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.39422e+01
Coefficient B			-4.18485e+03
Coefficient C			-9.08700e+01
Temperature range, min.			397.35
Temperature range, max.			575.75
Pvap	1.33	kPa	397.35	Calculated Property
Pvap	3.06	kPa	417.17	Calculated Property
Pvap	6.37	kPa	436.99	Calculated Property
Pvap	12.26	kPa	456.82	Calculated Property
Pvap	22.07	kPa	476.64	Calculated Property
Pvap	37.50	kPa	496.46	Calculated Property
Pvap	60.65	kPa	516.28	Calculated Property
Pvap	93.98	kPa	536.11	Calculated Property
Pvap	140.28	kPa	555.93	Calculated Property
Pvap	202.66	kPa	575.75	Calculated Property

Similar Compounds

Find more compounds similar to Quinoline, 2,6-dimethyl-.

Sources

• Crippen Method
• Crippen Method
• Thermodynamic properties of methylquinolines: Experimental results for 2,6-dimethylquinoline and mutual validation between experiments and computational methods for methylquinolines
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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