Chemical Properties of Ethylamine, 2-((p-bromo-«alpha»-methyl-«alpha»-phenylbenzyl)oxy)-N,N-dimethyl- (CAS 3565-72-8)

InChI

InChI=1S/C18H22BrNO/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16/h4-12H,13-14H2,1-3H3

InChI Key

URSRSKSNFPUKGH-UHFFFAOYSA-N

Formula

C18H22BrNO

SMILES

CN(C)CCOC(C)(c1ccccc1)c1ccc(Br)cc1

Molecular Weight¹

348.28

CAS

3565-72-8

Other Names

• 2-((p-Bromo-«alpha»-methyl-«alpha»-phenylbenzyl)oxy)-N,N-dimethylethylamine
• Embramine
• Ethanamine, 2-(1-(4-bromophenyl)-1-phenylethoxy)-N,N-dimethyl-
• Mebrophenhydramine

• 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	0.6068		Relay (1.0) Calculated Property
ΔfG°	338.81	kJ/mol	Joback Calculated Property
ΔfH°gas	10.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.15	kJ/mol	Joback Calculated Property
ΔvapH°	93.81	kJ/mol	Relay (1.0) Calculated Property
IE	8.09	eV	Relay (1.0) Calculated Property
log10WS	-3.89		Relay (1.0) Calculated Property
logPoct/wat	4.291		Crippen Calculated Property
McVol	250.310	ml/mol	McGowan Calculated Property
Pc	2010.90	kPa	Joback Calculated Property
Inp	[2185.00; 2185.00]
Inp	2185.00		NIST
Inp	2185.00		NIST
Tboil	628.81	K	Relay (1.0) Calculated Property
Tc	875.20	K	Relay (1.0) Calculated Property
Tfus	353.99	K	Relay (1.0) Calculated Property
Vc	0.881	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[691.93; 776.56]	J/mol×K	[767.37; 1005.75]
Cp,gas	691.93	J/mol×K	767.37	Joback Calculated Property
Cp,gas	709.00	J/mol×K	807.10	Joback Calculated Property
Cp,gas	724.73	J/mol×K	846.83	Joback Calculated Property
Cp,gas	739.23	J/mol×K	886.56	Joback Calculated Property
Cp,gas	752.62	J/mol×K	926.29	Joback Calculated Property
Cp,gas	765.03	J/mol×K	966.02	Joback Calculated Property
Cp,gas	776.56	J/mol×K	1005.75	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ethylamine, 2-((p-bromo-«alpha»-methyl-«alpha»-phenylbenzyl)oxy)-N,N-dimethyl-.

Sources

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

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