Chemical Properties of Proadifen (CAS 302-33-0)

InChI

InChI=1S/C23H31NO2/c1-4-17-23(20-13-9-7-10-14-20,21-15-11-8-12-16-21)22(25)26-19-18-24(5-2)6-3/h7-16H,4-6,17-19H2,1-3H3

InChI Key

SNTQPLDRUZOSDP-UHFFFAOYSA-N

Formula

C23H31NO2

SMILES

CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1

Molecular Weight¹

353.50

CAS

302-33-0

Other Names

• Acetic acid, propyldiphenyl-, 2-(diethylamino)ethyl ester
• BCTB
• Benzeneacetic acid, «alpha»-phenyl-«alpha»-propyl-, 2-(diethylamino)ethyl ester
• 2-Diethylaminoethyl-2,2-diphenylvalerate
• 2-Diethylaminoethyl propyldiphenylacetate
• HL 8727
• Valeric acid, 2,2-diphenyl-, 2-(diethylamino)ethyl ester
• 2,2-Diphenylvaleric acid 2-(diethylamino)ethyl ester
• AV 54315
• Ethyl aprofen
• SKF-525-A
• SK-525-A

• 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	0.7686		Relay (... Calculated Property
ΔfG°	247.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-275.23	kJ/mol	Relay (... Calculated Property
ΔfusH°	41.80	kJ/mol	Joback Calculated Property
ΔvapH°	90.85	kJ/mol	Relay (... Calculated Property
IE	7.96	eV	Relay (... Calculated Property
log10WS	-4.44		Relay (... Calculated Property
logPoct/wat	4.658		Crippen Calculated Property
McVol	304.830	ml/mol	McGowan Calculated Property
Pc	1370.73	kPa	Joback Calculated Property
Inp	[2326.00; 2326.00]
Inp	2326.00		NIST
Inp	2326.00		NIST
Tboil	659.08	K	Relay (... Calculated Property
Tc	890.07	K	Relay (... Calculated Property
Tfus	342.14	K	Relay (... Calculated Property
Vc	1.075	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[957.10; 1045.07]	J/mol×K	[864.50; 1083.58]
Cp,gas	957.10	J/mol×K	864.50	Joback Calculated Property
Cp,gas	974.57	J/mol×K	901.01	Joback Calculated Property
Cp,gas	990.78	J/mol×K	937.53	Joback Calculated Property
Cp,gas	1005.83	J/mol×K	974.04	Joback Calculated Property
Cp,gas	1019.83	J/mol×K	1010.55	Joback Calculated Property
Cp,gas	1032.87	J/mol×K	1047.07	Joback Calculated Property
Cp,gas	1045.07	J/mol×K	1083.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to Proadifen.

Sources

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

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