Chemical Properties of Quinoline, 5-methyl- (CAS 7661-55-4)

InChI

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

InChI Key

LMYVCXSKCQSIEQ-UHFFFAOYSA-N

Formula

C10H9N

SMILES

Cc1cccc2ncccc12

Molecular Weight¹

143.19

CAS

7661-55-4

Other Names

• 5-Methylquinoline

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (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	0.3959		Relay (1.0) Calculated Property
ΔfG°	248.90	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	165.00	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	65.25	kJ/mol	Relay (1.0) Calculated Property
IE	8.53	eV	Relay (1.0) Calculated Property
log10WS	-1.83		Relay (1.0) Calculated Property
logPoct/wat	2.543		Crippen Calculated Property
McVol	118.520	ml/mol	McGowan Calculated Property
Pc	4507.39	kPa	Relay (1.0-beta) Calculated Property
Inp	[1307.00; 1355.00]
Inp	1355.00		NIST
Inp	1355.00		NIST
Inp	1307.00		NIST
I	[2025.00; 2054.00]
I	2025.00		NIST
I	2054.00		NIST
I	2025.00		NIST
I	2054.00		NIST
I	2025.00		NIST
I	2054.00		NIST
Tboil	531.00 ± 2.00	K	NIST
Tc	794.30	K	Relay (1.0) Calculated Property
Tfus	301.49	K	Relay (1.0) Calculated Property
Vc	0.444	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[393.02; 565.64]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.41490e+01
Coefficient B			-4.20908e+03
Coefficient C			-8.93660e+01
Temperature range, min.			393.02
Temperature range, max.			565.64
Pvap	1.33	kPa	393.02	Calculated Property
Pvap	3.04	kPa	412.20	Calculated Property
Pvap	6.31	kPa	431.38	Calculated Property
Pvap	12.13	kPa	450.56	Calculated Property
Pvap	21.83	kPa	469.74	Calculated Property
Pvap	37.14	kPa	488.92	Calculated Property
Pvap	60.17	kPa	508.10	Calculated Property
Pvap	93.44	kPa	527.28	Calculated Property
Pvap	139.86	kPa	546.46	Calculated Property
Pvap	202.65	kPa	565.64	Calculated Property

Similar Compounds

Find more compounds similar to Quinoline, 5-methyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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