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

• 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°	247.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-231.01	kJ/mol	Joback Calculated Property
ΔfusH°	41.80	kJ/mol	Joback Calculated Property
ΔvapH°	81.25	kJ/mol	Joback Calculated Property
log10WS	-4.86		Crippen 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	864.50	K	Joback Calculated Property
Tc	1083.58	K	Joback Calculated Property
Tfus	508.86	K	Joback Calculated Property
Vc	1.139	m3/kmol	Joback 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

• 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.