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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	32.15	kJ/mol	Joback 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
Inp	[2185.00; 2185.00]
Inp	2185.00		NIST
Inp	2185.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[692.02; 776.64]	J/mol×K	[767.57; 1006.01]
Cp,gas	692.02	J/mol×K	767.57	Joback Calculated Property
Cp,gas	709.09	J/mol×K	807.31	Joback Calculated Property
Cp,gas	724.81	J/mol×K	847.05	Joback Calculated Property
Cp,gas	739.31	J/mol×K	886.79	Joback Calculated Property
Cp,gas	752.70	J/mol×K	926.53	Joback Calculated Property
Cp,gas	765.10	J/mol×K	966.27	Joback Calculated Property
Cp,gas	776.64	J/mol×K	1006.01	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)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.