Chemical Properties of Pyridine, 3-(phenylmethyl)- (CAS 620-95-1)

InChI

InChI=1S/C12H11N/c1-2-5-11(6-3-1)9-12-7-4-8-13-10-12/h1-8,10H,9H2

InChI Key

UUCLVSDUMKMBSM-UHFFFAOYSA-N

Formula

C12H11N

SMILES

c1ccc(Cc2cccnc2)cc1

Molecular Weight¹

169.22

CAS

620-95-1

Other Names

• 3-Benzylpyridine
• Pyridine, 3-benzyl-

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-3.34		Crippen Calculated Property
logPoct/wat	2.672		Crippen Calculated Property
McVol	142.400	ml/mol	McGowan Calculated Property
Inp	[1497.00; 1500.00]
Inp	1497.00		NIST
Inp	1500.00		NIST
Inp	1497.00		NIST
Tboil	560.70	K	NIST
Tfus	307.00	K	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[559.00; 559.20]	K	[98.70; 98.70]
Tboilr	559.20	K	98.70	NIST
Tboilr	559.00	K	98.70	NIST

Similar Compounds

Find more compounds similar to Pyridine, 3-(phenylmethyl)-.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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