Chemical Properties of Phenoxybenzamine (CAS 59-96-1)

InChI

InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3

InChI Key

QZVCTJOXCFMACW-UHFFFAOYSA-N

Formula

C18H22ClNO

SMILES

CC(COc1ccccc1)N(CCCl)Cc1ccccc1

Molecular Weight¹

303.83

CAS

59-96-1

Other Names

• Benzenemethanamine, N-(2-chloroethyl)-N-(1-methyl-2-phenoxyethyl)-
• Benzylamine, N-(2-chloroethyl)-N-(1-methyl-2-phenoxyethyl)-
• Bensylyt
• Benzylyt
• Dibenylin
• Dibenyline
• Dibenzyline
• 688A
• A 688
• Bensylyte
• 2-(N-Benzyl-2-chloroethylamino)-1-phenoxypropane
• Benzyl(2-chloroethyl)-(1-methyl-2-phenoxyethyl)amine
• N-(2-Chloroethyl)-N-(1-methyl-2-phenoxyethyl)benzenemethanamine
• N-(2-Chloroethyl)-N-(1-methyl-2-phenoxyethyl)benzylamine
• NSC 37448
• N-Phenoxyisopropyl-N-benzyl-«beta»-chloroethylamine

• 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.
• 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°	316.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-27.50	kJ/mol	Joback Calculated Property
ΔfusH°	35.34	kJ/mol	Joback Calculated Property
ΔvapH°	68.66	kJ/mol	Joback Calculated Property
log10WS	-4.63		Crippen Calculated Property
logPoct/wat	4.195		Crippen Calculated Property
McVol	245.050	ml/mol	McGowan Calculated Property
Pc	1838.84	kPa	Joback Calculated Property
Inp	[2205.00; 2233.00]
Inp	2205.00		NIST
Inp	2233.00		NIST
Tboil	736.45	K	Joback Calculated Property
Tc	959.29	K	Joback Calculated Property
Tfus	415.08	K	Joback Calculated Property
Vc	0.906	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[676.94; 764.38]	J/mol×K	[736.45; 959.29]
Cp,gas	676.94	J/mol×K	736.45	Joback Calculated Property
Cp,gas	694.53	J/mol×K	773.59	Joback Calculated Property
Cp,gas	710.82	J/mol×K	810.73	Joback Calculated Property
Cp,gas	725.87	J/mol×K	847.87	Joback Calculated Property
Cp,gas	739.76	J/mol×K	885.01	Joback Calculated Property
Cp,gas	752.58	J/mol×K	922.15	Joback Calculated Property
Cp,gas	764.38	J/mol×K	959.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phenoxybenzamine.

Sources

• 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.