Chemical Properties of Propanamide, N-ethyl-N-(3-methylphenyl)-2-bromo-

InChI

InChI=1S/C12H16BrNO/c1-4-14(12(15)10(3)13)11-7-5-6-9(2)8-11/h5-8,10H,4H2,1-3H3

InChI Key

GZVOTXLLNZDDPZ-UHFFFAOYSA-N

Formula

C12H16BrNO

SMILES

CCN(C(=O)C(C)Br)c1cccc(C)c1

Molecular Weight¹

270.17

• ω : Acentric Factor.
• 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_fusH° : Enthalpy of fusion 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
ω	0.5909		Relay (1.0) Calculated Property
ΔfG°	146.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-169.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.87	kJ/mol	Joback Calculated Property
ΔvapH°	76.12	kJ/mol	Relay (1.0) Calculated Property
IE	8.20	eV	Relay (1.0) Calculated Property
log10WS	-3.15		Relay (1.0) Calculated Property
logPoct/wat	3.131		Crippen Calculated Property
McVol	185.230	ml/mol	McGowan Calculated Property
Pc	2724.01	kPa	Joback Calculated Property
Inp	[1665.00; 1665.00]
Inp	1665.00		NIST
Inp	1665.00		NIST
Tboil	580.19	K	Relay (1.0) Calculated Property
Tc	799.51	K	Relay (1.0) Calculated Property
Tfus	356.62	K	Relay (1.0) Calculated Property
Vc	0.652	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[446.60; 520.95]	J/mol×K	[637.65; 860.51]
Cp,gas	446.60	J/mol×K	637.65	Joback Calculated Property
Cp,gas	461.34	J/mol×K	674.79	Joback Calculated Property
Cp,gas	475.06	J/mol×K	711.94	Joback Calculated Property
Cp,gas	487.82	J/mol×K	749.08	Joback Calculated Property
Cp,gas	499.68	J/mol×K	786.22	Joback Calculated Property
Cp,gas	510.71	J/mol×K	823.36	Joback Calculated Property
Cp,gas	520.95	J/mol×K	860.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propanamide, N-ethyl-N-(3-methylphenyl)-2-bromo-.

Sources

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

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