Chemical Properties of Quinoline, 4,6-dimethyl- (CAS 826-77-7)

InChI

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

InChI Key

JTLZWQVUPZYROB-UHFFFAOYSA-N

Formula

C11H11N

SMILES

Cc1ccc2nccc(C)c2c1

Molecular Weight¹

157.21

CAS

826-77-7

Other Names

• 4,6-dimethylquinoline

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-3.99		Crippen Calculated Property
logPoct/wat	2.852		Crippen Calculated Property
McVol	132.610	ml/mol	McGowan Calculated Property
Inp	[1472.00; 1487.00]
Inp	1472.00		NIST
Inp	1487.00		NIST
Inp	1472.00		NIST
I	[2133.00; 2159.00]
I	2133.00		NIST
I	2159.00		NIST
I	2133.00		NIST
I	2159.00		NIST
Tboil	[546.00; 548.00]	K
Tboil	546.70	K	NIST
Tboil	548.00 ± 5.00	K	NIST
Tboil	546.00 ± 4.00	K	NIST
Tboil	548.00 ± 6.00	K	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[402.62; 583.20]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.39338e+01
Coefficient B			-4.22921e+03
Coefficient C			-9.27020e+01
Temperature range, min.			402.62
Temperature range, max.			583.20
Pvap	1.33	kPa	402.62	Calculated Property
Pvap	3.06	kPa	422.68	Calculated Property
Pvap	6.37	kPa	442.75	Calculated Property
Pvap	12.27	kPa	462.81	Calculated Property
Pvap	22.08	kPa	482.88	Calculated Property
Pvap	37.51	kPa	502.94	Calculated Property
Pvap	60.67	kPa	523.01	Calculated Property
Pvap	94.00	kPa	543.07	Calculated Property
Pvap	140.30	kPa	563.14	Calculated Property
Pvap	202.66	kPa	583.20	Calculated Property

Similar Compounds

Find more compounds similar to Quinoline, 4,6-dimethyl-.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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