Chemical Properties of Bromacetamide, N-(hept-2-yl)-

InChI

InChI=1S/C9H18BrNO/c1-3-4-5-6-8(2)11-9(12)7-10/h8H,3-7H2,1-2H3,(H,11,12)

InChI Key

AQZMQRAZXBVCRO-UHFFFAOYSA-N

Formula

C9H18BrNO

SMILES

CCCCCC(C)N=C(O)CBr

Molecular Weight¹

236.15

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-377.39	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	85.42	kJ/mol	Relay (1.0) Calculated Property
IE	9.20	eV	Relay (1.0) Calculated Property
log10WS	-2.65		Relay (1.0) Calculated Property
logPoct/wat	3.307		Crippen Calculated Property
McVol	166.720	ml/mol	McGowan Calculated Property
Pc	2467.81	kPa	Joback Calculated Property
Inp	[1488.00; 1488.00]
Inp	1488.00		NIST
Inp	1488.00		NIST
Tboil	561.33	K	Relay (1.0) Calculated Property
Tc	757.36	K	Relay (1.0) Calculated Property
Tfus	300.60	K	Relay (1.0) Calculated Property
Vc	0.589	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor 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.

Similar Compounds

Find more compounds similar to Bromacetamide, N-(hept-2-yl)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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