Chemical Properties of Benadryl (CAS 58-73-1)

InChI

InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3

InChI Key

ZZVUWRFHKOJYTH-UHFFFAOYSA-N

Formula

C17H21NO

SMILES

CN(C)CCOC(c1ccccc1)c1ccccc1

Molecular Weight¹

255.35

CAS

58-73-1

Other Names

• 2-(Benzhydryloxy)-N,N-Dimethylethylamine
• 2-(Benzohydryloxy)-N,N-dimethylethylamine
• 2-(Diphenylmethoxy)-N,N-dimethylethylamine
• Aleryl
• Alledryl
• Allergan B
• Allergeval
• Allergical
• Allergina
• Allergival
• Amidryl
• Antistominum
• Antomin
• Bagodryl
• Baramine
• Ben-allergin
• Bena
• Benachlor
• Benadrin
• Benapon
• Benodin
• Benodine
• Benylan
• Benzantine
• Benzhydramine
• Benzhydraminum
• Benzhydril
• Benzhydroamina
• Benzhydryl
• Betramin
• Dabylen
• Debendrin
• Dermistina
• Dermodrin
• Desentol
• Diabenyl
• Diabylen
• Dibendrin
• Dibondrin
• Difedryl
• Difenhydramin
• Difenidramina
• Dihidral
• Dimedrol
• Dimedrol base
• Dimedryl
• Diphantine
• Diphenhydramine
• Diphenylhydramine
• Diphenylmethanol, (N,N-dimenthylaminoethyl) ether
• Dryistan
• Drylistan
• Dylamon
• Etanautine
• Ethanamine, 2-(diphenylmethoxy)-N,N-dimethyl-
• Ethylamine, 2-(diphenylmethoxy)-N,N-dimethyl-
• Ethylamine, N,N-dimethyl-2-(diphenylmethoxy)-
• FAR 90X2
• Histaxin
• Hyadrine
• Ibiodral
• Medidryl
• Mephadryl
• N,N-Dimethyl-2-diphenylmethyloxyethylamine
• N-(Benzhydryloksy-etylo)dwumetyloamina
• N-[2-(Diphenylmethoxy)ethyl]-N,N-dimethylamine
• Nausen
• Novamina
• O-Benzhydryl(dimethylamino)ethanol
• PM 255
• Probedryl
• Rigidil
• Rigidyl
• S 51
• Syntedril
• Syntodril
• deprenyl
• «alpha»-(2-Dimethylaminoethoxy)diphenylmethane
• «beta»-(Dimethylamino)ethanol diphenylmethyl ether
• «beta»-(Dimethylamino)ethyl benzhydryl ether
• «beta»-Dimethylamino-aethyl-benzhydryl-aether
• «alpha»-(2-Dimethylaminoethoxy)diphenylmethane
• «beta»-(Dimethylamino)ethanol diphenylmethyl ether
• «beta»-(Dimethylamino)ethyl benzhydryl ether
• «beta»-Dimethylamino-aethyl-benzhydryl-aether

• 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).
• 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.
• I : 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
ΔfG°	320.42	kJ/mol	Joback Calculated Property
ΔfH°gas	8.88	kJ/mol	Joback Calculated Property
ΔfusH°	28.55	kJ/mol	Joback Calculated Property
ΔvapH°	62.05	kJ/mol	Joback Calculated Property
log10WS	-2.51		Aq. Sol...
logPoct/wat	3.354		Crippen Calculated Property
McVol	218.720	ml/mol	McGowan Calculated Property
Pc	2068.00	kPa	Joback Calculated Property
Inp	[1841.00; 1908.00]
Inp	1865.00		NIST
Inp	1872.00		NIST
Inp	1868.00		NIST
Inp	1874.00		NIST
Inp	1890.00		NIST
Inp	1888.00		NIST
Inp	1870.00		NIST
Inp	1850.00		NIST
Inp	1870.00		NIST
Inp	1885.00		NIST
Inp	1857.00		NIST
Inp	1880.00		NIST
Inp	1885.00		NIST
Inp	1860.00		NIST
Inp	1855.00		NIST
Inp	1873.00		NIST
Inp	1846.00		NIST
Inp	1849.00		NIST
Inp	1849.00		NIST
Inp	1842.00		NIST
Inp	1841.00		NIST
Inp	1865.00		NIST
Inp	1870.00		NIST
Inp	1869.00		NIST
Inp	1852.00		NIST
Inp	1873.00		NIST
Inp	1844.00		NIST
Inp	1873.00		NIST
Inp	1865.00		NIST
Inp	Outlier 1908.00		NIST
Inp	Outlier 1908.00		NIST
Inp	1842.00		NIST
Inp	1870.00		NIST
Inp	1873.00		NIST
I	2513.00		NIST
Tboil	676.14	K	Joback Calculated Property
Tc	899.87	K	Joback Calculated Property
Tfus	373.89	K	Joback Calculated Property
Vc	0.801	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[592.33; 686.79]	J/mol×K	[676.14; 899.87]
Cp,gas	592.33	J/mol×K	676.14	Joback Calculated Property
Cp,gas	611.23	J/mol×K	713.43	Joback Calculated Property
Cp,gas	628.78	J/mol×K	750.72	Joback Calculated Property
Cp,gas	645.04	J/mol×K	788.01	Joback Calculated Property
Cp,gas	660.08	J/mol×K	825.30	Joback Calculated Property
Cp,gas	673.97	J/mol×K	862.58	Joback Calculated Property
Cp,gas	686.79	J/mol×K	899.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benadryl.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.