Chemical Properties of 1-Acetyl-4-(2-acetoxyphenyl)piperazine

InChI

InChI=1S/C14H18N2O3/c1-11(17)15-7-9-16(10-8-15)13-5-3-4-6-14(13)19-12(2)18/h3-6H,7-10H2,1-2H3

InChI Key

PJPNYBPVOVTOKS-UHFFFAOYSA-N

Formula

C14H18N2O3

SMILES

CC(=O)Oc1ccccc1N1CCN(C(C)=O)CC1

Molecular Weight¹

262.30

Other Names

• Piperazine, 1-(2-acetoxyphenyl)-4-acetyl

• 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	0.6887		Relay (1.0) Calculated Property
ΔfG°	-33.29	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-403.55	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	94.39	kJ/mol	Relay (1.0) Calculated Property
IE	7.94	eV	Relay (1.0) Calculated Property
log10WS	-1.31		Relay (1.0) Calculated Property
logPoct/wat	1.280		Crippen Calculated Property
McVol	202.470	ml/mol	McGowan Calculated Property
Pc	2174.44	kPa	Relay (1.0-beta) Calculated Property
Inp	[2140.00; 2140.00]
Inp	2140.00		NIST
Inp	2140.00		NIST
Tboil	623.45	K	Relay (1.0) Calculated Property
Tc	861.00	K	Relay (1.0) Calculated Property
Tfus	380.81	K	Relay (1.0) Calculated Property
Vc	0.727	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 1-Acetyl-4-(2-acetoxyphenyl)piperazine.

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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