Chemical Properties of Benzoxazole, 2-methyl- (CAS 95-21-6)

InChI

InChI=1S/C8H7NO/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3

InChI Key

DQSHFKPKFISSNM-UHFFFAOYSA-N

Formula

C8H7NO

SMILES

Cc1nc2ccccc2o1

Molecular Weight¹

133.15

CAS

95-21-6

Other Names

• 2-Methylbenzoxazole
• USAF ek-982
• 2-Methylbenzoxazol

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

Physical Properties

Property	Value	Unit	Source
log10WS	-7.25		Crippen Calculated Property
logPoct/wat	2.136		Crippen Calculated Property
McVol	100.510	ml/mol	McGowan Calculated Property
Tboil	[451.20; 473.70]	K
Tboil	451.20	K	NIST
Tboil	473.70	K	NIST

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Benzoxazole, 2-methyl-.

Sources

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

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