Chemical Properties of Quinoline, 7-methyl- (CAS 612-60-2)

InChI

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

InChI Key

KDYVCOSVYOSHOL-UHFFFAOYSA-N

Formula

C10H9N

SMILES

Cc1ccc2cccnc2c1

Molecular Weight¹

143.19

CAS

612-60-2

Other Names

• 7-Methylquinoline
• M-TOLUQUINOLINE

• ω : Acentric Factor.
• 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).
• ρ_l : Liquid Density (kg/m³).
• 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).
• 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	0.3860		KDB
log10WS	-3.52		Crippen Calculated Property
logPoct/wat	2.543		Crippen Calculated Property
McVol	118.520	ml/mol	McGowan Calculated Property
Pc	3700.00	kPa	KDB
Inp	[230.99; 1355.00]
Inp	1338.00		NIST
Inp	1354.00		NIST
Inp	1338.00		NIST
Inp	1354.00		NIST
Inp	1334.00		NIST
Inp	1355.00		NIST
Inp	230.99		NIST
Inp	231.46		NIST
Inp	231.37		NIST
Inp	1355.00		NIST
I	[1995.00; 2053.00]
I	1995.00		NIST
I	2020.00		NIST
I	1995.00		NIST
I	2020.00		NIST
I	1995.00		NIST
I	2020.00		NIST
I	2016.00		NIST
I	Outlier 2053.00		NIST
I	1995.00		NIST
I	2020.00		NIST
Tboil	[525.15; 583.30]	K
Tboil	Outlier 583.30	K	KDB
Tboil	530.80	K	NIST
Tboil	530.86 ± 0.18	K	NIST
Tboil	525.15 ± 0.70	K	NIST
Tboil	529.00 ± 2.00	K	NIST
Tboil	525.15 ± 2.00	K	NIST
Tc	797.00	K	KDB
Tfus	[306.00; 312.70]	K
Tfus	Outlier 306.00	K	KDB
Tfus	312.70 ± 0.20	K	NIST
Tfus	311.00 ± 2.00	K	NIST
Tfus	311.00 ± 2.00	K	NIST
Tfus	310.70 ± 0.50	K	NIST
Tfus	311.30 ± 0.40	K	NIST

Temperature Dependent Properties

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[391.20; 566.06]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.40019e+01
Coefficient B			-4.14817e+03
Coefficient C			-8.87350e+01
Temperature range, min.			391.20
Temperature range, max.			566.06
Pvap	1.33	kPa	391.20	Calculated Property
Pvap	3.05	kPa	410.63	Calculated Property
Pvap	6.35	kPa	430.06	Calculated Property
Pvap	12.22	kPa	449.49	Calculated Property
Pvap	22.00	kPa	468.92	Calculated Property
Pvap	37.39	kPa	488.34	Calculated Property
Pvap	60.50	kPa	507.77	Calculated Property
Pvap	93.81	kPa	527.20	Calculated Property
Pvap	140.15	kPa	546.63	Calculated Property
Pvap	202.65	kPa	566.06	Calculated Property
Pvap	[63.17; 102.01]	kPa	[511.15; 531.15]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			6.57517e+01
Coefficient B			-9.48390e+03
Coefficient C			-7.00232e+00
Coefficient D			2.37010e-06
Temperature range, min.			511.15
Temperature range, max.			531.15
Pvap	63.17	kPa	511.15	Calculated Property
Pvap	66.76	kPa	513.37	Calculated Property
Pvap	70.52	kPa	515.59	Calculated Property
Pvap	74.46	kPa	517.82	Calculated Property
Pvap	78.57	kPa	520.04	Calculated Property
Pvap	82.86	kPa	522.26	Calculated Property
Pvap	87.35	kPa	524.48	Calculated Property
Pvap	92.03	kPa	526.71	Calculated Property
Pvap	96.92	kPa	528.93	Calculated Property
Pvap	102.01	kPa	531.15	Calculated Property

Similar Compounds

Find more compounds similar to Quinoline, 7-methyl-.

Sources

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

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