Chemical Properties of 2-METHYL-BENZOOXAZOLE

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

Other Names

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

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-23.53	kJ/mol	Relay (1.0) 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
Tfus	273.70	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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.

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 2-METHYL-BENZOOXAZOLE.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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