Chemical Properties of 2-Pyrrolidinone, 1-ethyl-4-[2-(4-morpholinyl)ethyl]-3,3-diphenyl- (CAS 309-29-5)

InChI

InChI=1S/C24H30N2O2/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,22H,2,13-19H2,1H3

InChI Key

XFDJYSQDBULQSI-UHFFFAOYSA-N

Formula

C24H30N2O2

SMILES

CCN1CC(CCN2CCOCC2)C(c2ccccc2)(c2ccccc2)C1=O

Molecular Weight¹

378.51

CAS

309-29-5

Other Names

• 2-Pyrrolidinone, 1-ethyl-4-(2-morpholinoethyl)-3,3-diphenyl-
• Doxapram
• AHR-619
• Dopram
• 1-Ethyl-4-(2-morpholinoethyl)-3,3-diphenyl-2-pyrrolidinone

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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	0.6863		Relay (1.0) Calculated Property
ΔfG°	309.85	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-98.67	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	113.51	kJ/mol	Relay (1.0) Calculated Property
IE	7.72	eV	Relay (1.0) Calculated Property
log10WS	-3.13		Relay (1.0) Calculated Property
logPoct/wat	3.173		Crippen Calculated Property
McVol	307.180	ml/mol	McGowan Calculated Property
Pc	836.04	kPa	Relay (1.0-beta) Calculated Property
Inp	[2860.00; 2906.00]
Inp	2860.00		NIST
Inp	2874.00		NIST
Inp	2874.00		NIST
Inp	2890.00		NIST
Inp	2906.00		NIST
Inp	2890.00		NIST
Tboil	712.95	K	Relay (1.0) Calculated Property
Tc	1001.73	K	Relay (1.0) Calculated Property
Tfus	383.02	K	Relay (1.0) Calculated Property
Vc	1.091	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-Pyrrolidinone, 1-ethyl-4-[2-(4-morpholinyl)ethyl]-3,3-diphenyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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