Chemical Properties of Isoxazole, 3,5-dimethyl- (CAS 300-87-8)

InChI

InChI=1S/C5H7NO/c1-4-3-5(2)7-6-4/h3H,1-2H3

InChI Key

FICAQKBMCKEFDI-UHFFFAOYSA-N

Formula

C5H7NO

SMILES

Cc1cc(C)on1

Molecular Weight¹

97.12

CAS

300-87-8

Other Names

• U 21221
• 3,5-Dimethylisoxazole
• 3,5-Dimethylisooxazole
• DMI
• 3,5-Dwumetyloizoksazolu

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-2905.00 ± 2.90	kJ/mol	NIST
ΔfH°gas	-18.00 ± 4.00	kJ/mol	NIST
ΔfH°liquid	-63.10 ± 3.10	kJ/mol	NIST
ΔvapH°	45.00 ± 2.00	kJ/mol	NIST
log10WS	-5.92		Crippen Calculated Property
logPoct/wat	1.291		Crippen Calculated Property
McVol	77.700	ml/mol	McGowan Calculated Property
Inp	[801.00; 801.00]
Inp	801.00		NIST
Inp	801.00		NIST
I	[1135.00; 1135.00]
I	1135.00		NIST
I	1135.00		NIST
Tboil	416.20	K	NIST

Similar Compounds

Find more compounds similar to Isoxazole, 3,5-dimethyl-.

Sources

• 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.