Chemical Properties of Pyridine, 2-methyl-5-phenyl- (CAS 3256-88-0)

InChI

InChI=1S/C12H11N/c1-10-7-8-12(9-13-10)11-5-3-2-4-6-11/h2-9H,1H3

InChI Key

JXNAIOCJWBJGFQ-UHFFFAOYSA-N

Formula

C12H11N

SMILES

Cc1ccc(-c2ccccc2)cn1

Molecular Weight¹

169.22

CAS

3256-88-0

Other Names

• 2-Picoline, 5-phenyl-
• 2-Methyl-5-phenylpyridine

• 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).
• 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	0.4003		Relay (1.0) Calculated Property
ΔfG°	287.83	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	198.71	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	72.30	kJ/mol	Relay (1.0) Calculated Property
IE	8.41	eV	Relay (1.0) Calculated Property
log10WS	-2.07		Relay (1.0) Calculated Property
logPoct/wat	3.057		Crippen Calculated Property
McVol	142.400	ml/mol	McGowan Calculated Property
Pc	3726.14	kPa	Relay (1.0-beta) Calculated Property
Inp	1513.00		NIST
I	[2274.00; 2332.00]
I	2282.00		NIST
I	2274.00		NIST
I	2332.00		NIST
I	2282.00		NIST
Tboil	560.66	K	Relay (1.0) Calculated Property
Tc	801.10	K	Relay (1.0) Calculated Property
Tfus	319.05	K	Relay (1.0) Calculated Property
Vc	0.532	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Pyridine, 2-methyl-5-phenyl-.

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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