Chemical Properties of 6-methylisoquinoline (CAS 42398-73-2)

InChI

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

InChI Key

PPEJLOXOMBAXES-UHFFFAOYSA-N

Formula

C10H9N

SMILES

Cc1ccc2cnccc2c1

Molecular Weight¹

143.19

CAS

42398-73-2

• 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).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.15; 202.66]	kPa	[358.65; 548.60]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.54978e+01
Coefficient B			-4.66231e+03
Coefficient C			-9.08950e+01
Temperature range, min.			358.65
Temperature range, max.			548.60
Pvap	0.15	kPa	358.65	Calculated Property
Pvap	0.53	kPa	379.76	Calculated Property
Pvap	1.58	kPa	400.86	Calculated Property
Pvap	4.12	kPa	421.97	Calculated Property
Pvap	9.58	kPa	443.07	Calculated Property
Pvap	20.24	kPa	464.18	Calculated Property
Pvap	39.50	kPa	485.28	Calculated Property
Pvap	72.00	kPa	506.39	Calculated Property
Pvap	123.85	kPa	527.49	Calculated Property
Pvap	202.66	kPa	548.60	Calculated Property

Similar Compounds

Find more compounds similar to 6-methylisoquinoline.

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
• The Yaws Handbook of Vapor Pressure

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