Chemical Properties of Butanal, 3-methyl-, oxime (CAS 626-90-4)

InChI

InChI=1S/C5H11NO/c1-5(2)3-4-6-7/h4-5,7H,3H2,1-2H3

InChI Key

JAUPRNSQRRCCRR-UHFFFAOYSA-N

Formula

C5H11NO

SMILES

CC(C)CC=NO

Molecular Weight¹

101.15

CAS

626-90-4

Other Names

• 3-Methylbutanal oxime
• 3-methylbutyraldehyde oxime
• 3)Methyl-butyl-aldoxime

• Δ_fH°_gas : 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-221.82	kJ/mol	Joback Calculated Property
ΔvapH°	46.33	kJ/mol	Joback Calculated Property
log10WS	-0.49		Crippen Calculated Property
logPoct/wat	1.492		Crippen Calculated Property
McVol	92.860	ml/mol	McGowan Calculated Property
Pc	3448.03	kPa	Joback Calculated Property
Inp	[858.00; 870.00]
Inp	858.00		NIST
Inp	870.00		NIST
Inp	858.00		NIST
Inp	870.00		NIST
Inp	858.00		NIST
Tboil	482.22	K	Joback Calculated Property
Tc	667.10	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butanal, 3-methyl-, oxime.

Sources

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

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