Chemical Properties of Quinoline, 2,4-dimethyl- (CAS 1198-37-4)

InChI

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

InChI Key

ZTNANFDSJRRZRJ-UHFFFAOYSA-N

Formula

C11H11N

SMILES

Cc1cc(C)c2ccccc2n1

Molecular Weight¹

157.22

CAS

1198-37-4

Other Names

• 2,4-Dimethyl quinoline
• 2,4-Dimethylquinoline
• 4-Methylquinaldine

• ω : Acentric Factor.
• Δ_fH°_gas : Enthalpy of formation 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).
• 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).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I_p : 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	[0.3690; 0.3909]
ω	0.3909		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.3690		KDB
ΔfH°gas	133.82	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	68.44	kJ/mol	Relay (1.0) Calculated Property
IE	8.28	eV	Relay (1.0) Calculated Property
log10WS	-1.94		Aq. Solubility Prediction
logPoct/wat	2.852		Crippen Calculated Property
McVol	132.610	ml/mol	McGowan Calculated Property
Pc	[3900.00; 3900.00]	kPa
Pc	3900.00	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	3900.00	kPa	KDB
Inp	[247.38; 1497.00]
Inp	1417.00		NIST
Inp	1434.00		NIST
Inp	1417.00		NIST
Inp	1434.00		NIST
Inp	1418.00		NIST
Inp	1446.00		NIST
Inp	1454.00		NIST
Inp	1472.00		NIST
Inp	1497.00		NIST
Inp	1446.00		NIST
Inp	Outlier 247.38		NIST
Inp	Outlier 247.96		NIST
Inp	1472.00		NIST
Inp	1446.00		NIST
Inp	1417.00		NIST
Inp	Outlier 247.38		NIST
Ip	[2063.00; 2088.00]
Ip	2063.00		NIST
Ip	2088.00		NIST
Ip	2063.00		NIST
Ip	2088.00		NIST
Ip	2063.00		NIST
Ip	2088.00		NIST
Ip	2086.00		NIST
Tboil	[532.00; 540.40]	K
Tboil	540.40	K	KDB
Tboil	538.20	K	NIST
Tboil	540.35 ± 0.06	K	NIST
Tboil	532.00 ± 7.00	K	NIST
Tc	[807.00; 807.00]	K
Tc	807.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	807.00	K	KDB
Tfus	[288.00; 330.00]	K
Tfus	330.00	K	KDB
Tfus	288.00 ± 0.10	K	NIST
Vc	0.552	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value

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Temperature Dependent Properties

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[398.79; 573.17]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.41680e+01
Coefficient B			-4.26710e+03
Coefficient C			-9.13700e+01
Temperature range, min.			398.79
Temperature range, max.			573.17
Pvap	1.33	kPa	398.79	Calculated Property
Pvap	3.04	kPa	418.17	Calculated Property
Pvap	6.31	kPa	437.54	Calculated Property
Pvap	12.12	kPa	456.92	Calculated Property
Pvap	21.81	kPa	476.29	Calculated Property
Pvap	37.10	kPa	495.67	Calculated Property
Pvap	60.12	kPa	515.04	Calculated Property
Pvap	93.39	kPa	534.42	Calculated Property
Pvap	139.82	kPa	553.79	Calculated Property
Pvap	202.65	kPa	573.17	Calculated Property
Pvap	[11.59; 106.13]	kPa	[458.50; 542.60]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.40758e+01
Coefficient B			-4.15501e+03
Coefficient C			-1.01103e+02
Reference			Malanowska and Wecsile, 1964, 2
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			458.50
Temperature range, max.			542.60
Pvap	11.59	kPa	458.50	Calculated Property
Pvap	15.58	kPa	467.84	Calculated Property
Pvap	20.65	kPa	477.19	Calculated Property
Pvap	26.99	kPa	486.53	Calculated Property
Pvap	34.84	kPa	495.88	Calculated Property
Pvap	44.44	kPa	505.22	Calculated Property
Pvap	56.07	kPa	514.57	Calculated Property
Pvap	70.01	kPa	523.91	Calculated Property
Pvap	86.59	kPa	533.26	Calculated Property
Pvap	106.13	kPa	542.60	Calculated Property
Pvap	[11.59; 106.13]	kPa	[458.50; 542.60]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.40758e+01
Coefficient B			-4.15501e+03
Coefficient C			-1.01103e+02
Reference			Malanowska and Wecsile, 1964
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			458.50
Temperature range, max.			542.60
Pvap	11.59	kPa	458.50	Calculated Property
Pvap	15.58	kPa	467.84	Calculated Property
Pvap	20.65	kPa	477.19	Calculated Property
Pvap	26.99	kPa	486.53	Calculated Property
Pvap	34.84	kPa	495.88	Calculated Property
Pvap	44.44	kPa	505.22	Calculated Property
Pvap	56.07	kPa	514.57	Calculated Property
Pvap	70.01	kPa	523.91	Calculated Property
Pvap	86.59	kPa	533.26	Calculated Property
Pvap	106.13	kPa	542.60	Calculated Property

Similar Compounds

Find more compounds similar to Quinoline, 2,4-dimethyl-.

Sources

• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Cheméo Relay (1.0)
• Crippen Method
• KDB
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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