Chemical Properties of Etilefrine (CAS 709-55-7)

InChI

InChI=1S/C10H15NO2/c1-2-11-7-10(13)8-4-3-5-9(12)6-8/h3-6,10-13H,2,7H2,1H3

InChI Key

SQVIAVUSQAWMKL-UHFFFAOYSA-N

Formula

C10H15NO2

SMILES

CCNCC(O)c1cccc(O)c1

Molecular Weight¹

181.23

CAS

709-55-7

Other Names

• Benzenemethanol, «alpha»-[(ethylamino)methyl]-3-hydroxy-
• Benzyl alcohol, «alpha»-((ethylamino)methyl)-m-hydroxy-
• Effortil
• Ethyladrianol
• «alpha»-((Ethylamino)methyl)-m-hydroxybenzyl alcohol
• Ethyl noradrianol
• N-Ethylnorphenylephrine
• m-Hydroxyphenylethanolethylamine
• 1-(3'-Hydroxyphenyl)-2-ethylaminoethanol
• Ethylphenylephrine
• Etiladrianol
• Etilefrin
• (.+/-.)-Etilefrin
• (.+/-.)-Etilefrine
• 1-(3-Hydroxyphenyl)-2-(ethylamino)ethanol
• Racemic etilefrine
• S 40032
• S 40032-7

• 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	0.7383		Relay (1.0) Calculated Property
ΔfG°	-58.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-293.99	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.14	kJ/mol	Joback Calculated Property
ΔvapH°	105.82	kJ/mol	Relay (1.0) Calculated Property
IE	8.43	eV	Relay (1.0) Calculated Property
log10WS	0.32		Relay (1.0) Calculated Property
logPoct/wat	1.035		Crippen Calculated Property
McVol	149.720	ml/mol	McGowan Calculated Property
Pc	3980.54	kPa	Joback Calculated Property
Inp	[1685.00; 1685.00]
Inp	1685.00		NIST
Inp	1685.00		NIST
Tboil	566.53	K	Relay (1.0) Calculated Property
Tc	794.48	K	Relay (1.0) Calculated Property
Tfus	390.54	K	Relay (1.0) Calculated Property
Vc	0.518	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[410.00; 468.40]	J/mol×K	[677.41; 884.24]
Cp,gas	410.00	J/mol×K	677.41	Joback Calculated Property
Cp,gas	421.16	J/mol×K	711.88	Joback Calculated Property
Cp,gas	431.65	J/mol×K	746.35	Joback Calculated Property
Cp,gas	441.55	J/mol×K	780.83	Joback Calculated Property
Cp,gas	450.93	J/mol×K	815.30	Joback Calculated Property
Cp,gas	459.86	J/mol×K	849.77	Joback Calculated Property
Cp,gas	468.40	J/mol×K	884.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to Etilefrine.

Sources

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

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