Chemical Properties of Benzamide, N-ethyl-N-(3-methylphenyl)-4-bromo-

InChI

InChI=1S/C16H16BrNO/c1-3-18(15-6-4-5-12(2)11-15)16(19)13-7-9-14(17)10-8-13/h4-11H,3H2,1-2H3

InChI Key

NXRHHDOCCGXWJH-UHFFFAOYSA-N

Formula

C16H16BrNO

SMILES

CCN(C(=O)c1ccc(Br)cc1)c1cccc(C)c1

Molecular Weight¹

318.21

• 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	0.6560		Relay (1.0) Calculated Property
ΔfG°	285.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-36.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.41	kJ/mol	Joback Calculated Property
ΔvapH°	96.70	kJ/mol	Relay (1.0) Calculated Property
IE	8.05	eV	Relay (1.0) Calculated Property
log10WS	-5.13		Relay (1.0) Calculated Property
logPoct/wat	4.424		Crippen Calculated Property
McVol	217.830	ml/mol	McGowan Calculated Property
Pc	2520.12	kPa	Joback Calculated Property
Inp	[2119.00; 2119.00]
Inp	2119.00		NIST
Inp	2119.00		NIST
Tboil	657.54	K	Relay (1.0) Calculated Property
Tc	908.90	K	Relay (1.0) Calculated Property
Tfus	366.56	K	Relay (1.0) Calculated Property
Vc	0.771	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[567.67; 639.04]	J/mol×K	[761.27; 1005.54]
Cp,gas	567.67	J/mol×K	761.27	Joback Calculated Property
Cp,gas	582.19	J/mol×K	801.98	Joback Calculated Property
Cp,gas	595.52	J/mol×K	842.69	Joback Calculated Property
Cp,gas	607.78	J/mol×K	883.41	Joback Calculated Property
Cp,gas	619.05	J/mol×K	924.12	Joback Calculated Property
Cp,gas	629.43	J/mol×K	964.83	Joback Calculated Property
Cp,gas	639.04	J/mol×K	1005.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, N-ethyl-N-(3-methylphenyl)-4-bromo-.

Sources

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

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