Chemical Properties of Butanamide, 2-bromo-2-ethyl- (CAS 511-70-6)

InChI

InChI=1S/C6H12BrNO/c1-3-6(7,4-2)5(8)9/h3-4H2,1-2H3,(H2,8,9)

InChI Key

ACEYAMOAGUDVAQ-UHFFFAOYSA-N

Formula

C6H12BrNO

SMILES

CCC(Br)(CC)C(=N)O

Molecular Weight¹

194.07

CAS

511-70-6

Other Names

• Butyramide, 2-bromo-2-ethyl-
• Carabromide
• Carbromide
• Diethylbromoacetamide
• Neuronal
• 2-Bromo-2-ethylbutyramide
• 2-Bromo-2,2-diethylacetamide
• 2-Ethyl-2-bromobutyramide
• 2-Bromo-2-ethylbutanamide
• 2-Bromo-2-ethylbutylamide
• NSC 4607

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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
ΔfG°	83.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-103.49	kJ/mol	Joback Calculated Property
ΔvapH°	62.85	kJ/mol	Joback Calculated Property
log10WS	-3.61		Crippen Calculated Property
logPoct/wat	2.475		Crippen Calculated Property
McVol	124.450	ml/mol	McGowan Calculated Property
Inp	[1192.00; 1215.00]
Inp	1215.00		NIST
Inp	1215.00		NIST
Inp	1192.00		NIST
Inp	1205.00		NIST
Inp	1192.00		NIST
Inp	1215.00		NIST
Tboil	576.13	K	Joback Calculated Property
Tfus	349.20	K	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[46.33; 282.39]	J/mol×K	[100.12; 576.13]
Cp,gas	46.33	J/mol×K	100.12	Joback Calculated Property
Cp,gas	46.33	J/mol×K	100.12	Joback Calculated Property
Cp,gas	46.33	J/mol×K	100.12	Joback Calculated Property
Cp,gas	46.33	J/mol×K	100.12	Joback Calculated Property
Cp,gas	46.33	J/mol×K	100.12	Joback Calculated Property
Cp,gas	46.33	J/mol×K	100.12	Joback Calculated Property
Cp,gas	282.39	J/mol×K	576.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butanamide, 2-bromo-2-ethyl-.

Sources

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

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