Chemical Properties of Piperazine, 1-phenyl-4-(2,3-diacetoxypropyl)

InChI

InChI=1S/C17H24N2O4/c1-14(20)22-13-17(23-15(2)21)12-18-8-10-19(11-9-18)16-6-4-3-5-7-16/h3-7,17H,8-13H2,1-2H3

InChI Key

HVMNGGLXSZZRLK-UHFFFAOYSA-N

Formula

C17H24N2O4

SMILES

CC(=O)OCC(CN1CCN(c2ccccc2)CC1)OC(C)=O

Molecular Weight¹

320.38

• 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	0.7446		Relay (1.0) Calculated Property
ΔfG°	-96.62	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-594.41	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	116.58	kJ/mol	Relay (1.0) Calculated Property
IE	8.06	eV	Relay (1.0) Calculated Property
log10WS	-1.30		Relay (1.0) Calculated Property
logPoct/wat	1.303		Crippen Calculated Property
McVol	250.610	ml/mol	McGowan Calculated Property
Pc	1629.81	kPa	Relay (1.0-beta) Calculated Property
Inp	[2330.00; 2330.00]
Inp	2330.00		NIST
Inp	2330.00		NIST
Tboil	648.12	K	Relay (1.0) Calculated Property
Tc	854.98	K	Relay (1.0) Calculated Property
Tfus	351.21	K	Relay (1.0) Calculated Property
Vc	0.898	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Piperazine, 1-phenyl-4-(2,3-diacetoxypropyl).

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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