Chemical Properties of Quinoline, 3-methyl- (CAS 612-58-8)

InChI

InChI=1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-7H,1H3

InChI Key

DTBDAFLSBDGPEA-UHFFFAOYSA-N

Formula

C10H9N

SMILES

Cc1cnc2ccccc2c1

Molecular Weight¹

143.19

CAS

612-58-8

Other Names

• 3-Methylquinoline

• 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_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-3.52		Crippen Calculated Property
logPoct/wat	2.543		Crippen Calculated Property
McVol	118.520	ml/mol	McGowan Calculated Property
Inp	[232.47; 1361.00]
Inp	1346.00		NIST
Inp	1361.00		NIST
Inp	1346.00		NIST
Inp	1361.00		NIST
Inp	1340.00		NIST
Inp	1361.00		NIST
Inp	232.62		NIST
Inp	232.47		NIST
Inp	232.62		NIST
Inp	1346.00		NIST
Inp	1361.00		NIST
I	[2014.00; 2042.00]
I	2014.00		NIST
I	2042.00		NIST
I	2014.00		NIST
I	2042.00		NIST
I	2014.00		NIST
I	2042.00		NIST
Tboil	521.65 ± 3.00	K	NIST

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[391.14; 553.04]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.53018e+01
Coefficient B			-4.83374e+03
Coefficient C			-6.91990e+01
Temperature range, min.			391.14
Temperature range, max.			553.04
Pvap	1.33	kPa	391.14	Calculated Property
Pvap	2.95	kPa	409.13	Calculated Property
Pvap	6.03	kPa	427.12	Calculated Property
Pvap	11.51	kPa	445.11	Calculated Property
Pvap	20.70	kPa	463.10	Calculated Property
Pvap	35.38	kPa	481.08	Calculated Property
Pvap	57.82	kPa	499.07	Calculated Property
Pvap	90.82	kPa	517.06	Calculated Property
Pvap	137.78	kPa	535.05	Calculated Property
Pvap	202.64	kPa	553.04	Calculated Property

Similar Compounds

Find more compounds similar to Quinoline, 3-methyl-.

Sources

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

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