Chemical Properties of Quinoline, 8-methyl-5-(1-methylethyl)

InChI

InChI=1S/C13H15N/c1-9(2)11-7-6-10(3)13-12(11)5-4-8-14-13/h4-9H,1-3H3

InChI Key

CODKEMBFGZTJIG-UHFFFAOYSA-N

Formula

C13H15N

SMILES

Cc1ccc(C(C)C)c2cccnc12

Molecular Weight¹

185.26

• ω : Acentric Factor.
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4726		Relay (1.0) Calculated Property
ΔfH°gas	76.09	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	75.03	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.667		Crippen Calculated Property
McVol	160.790	ml/mol	McGowan Calculated Property
Pc	2790.15	kPa	Relay (1.0-beta) Calculated Property
Inp	[1560.00; 1574.00]
Inp	1560.00		NIST
Inp	1574.00		NIST
I	[2135.00; 2164.00]
I	2135.00		NIST
I	2164.00		NIST
I	2135.00		NIST
I	2164.00		NIST
Tboil	565.32	K	Relay (1.0) Calculated Property
Tc	814.10	K	Relay (1.0) Calculated Property
Tfus	298.54	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to Quinoline, 8-methyl-5-(1-methylethyl).

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

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