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-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 : 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		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	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
I	[2063.00; 2088.00]
I	2063.00		NIST
I	2088.00		NIST
I	2063.00		NIST
I	2088.00		NIST
I	2063.00		NIST
I	2088.00		NIST
I	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	K	KDB
Tfus	[288.00; 330.00]	K
Tfus	330.00	K	KDB
Tfus	288.00 ± 0.10	K	NIST
Vc	0.500	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

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
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
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

• 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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