Chemical Properties of 4-Isopropylpyridine (CAS 696-30-0)

InChI

InChI=1S/C8H11N/c1-7(2)8-3-5-9-6-4-8/h3-7H,1-2H3

InChI Key

FRGXNJWEDDQLFH-UHFFFAOYSA-N

Formula

C8H11N

SMILES

CC(C)c1ccncc1

Molecular Weight¹

121.18

CAS

696-30-0

Other Names

• Pyridine, 4-(1-methylethyl)-
• 4-(1-Methylethyl)pyridine
• 4-(i-C3H7)-C5H4N

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	955.70	kJ/mol	NIST
BasG	923.80	kJ/mol	NIST
log10WS	-2.42		Crippen Calculated Property
logPoct/wat	2.205		Crippen Calculated Property
McVol	109.800	ml/mol	McGowan Calculated Property
Inp	[1000.00; 1054.00]
Inp	1054.00		NIST
Inp	1000.00		NIST
Inp	1034.00		NIST
Inp	1034.00		NIST
Inp	1054.00		NIST
Tboil	446.20	K	NIST
Tfus	218.25 ± 0.50	K	NIST

Similar Compounds

Find more compounds similar to 4-Isopropylpyridine.

Sources

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

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