Chemical Properties of Piperazine, 1-(3-trifluoromethylphenyl), 4-acetyl, acetoxy-M

InChI

InChI=1S/C15H17F3N2O3/c1-10(21)19-5-7-20(8-6-19)12-3-4-14(23-11(2)22)13(9-12)15(16,17)18/h3-4,9H,5-8H2,1-2H3

InChI Key

ZXAJSDPKUCRVQW-UHFFFAOYSA-N

Formula

C15H17F3N2O3

SMILES

CC(=O)Oc1ccc(N2CCN(C(C)=O)CC2)cc1C(F)(F)F

Molecular Weight¹

330.30

• 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	0.7313		Relay (1.0) Calculated Property
ΔfG°	-611.83	kJ/mol	Relay (1.0-beta) Calculated Property ⚠️
ΔfH°gas	-1078.52	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	91.18	kJ/mol	Relay (1.0) Calculated Property
IE	8.11	eV	Relay (1.0) Calculated Property
log10WS	-2.41		Relay (1.0) Calculated Property
logPoct/wat	2.299		Crippen Calculated Property
McVol	221.870	ml/mol	McGowan Calculated Property
Pc	1502.71	kPa	Relay (1.0-beta) Calculated Property ⚠️
Inp	[2275.00; 2275.00]
Inp	2275.00		NIST
Inp	2275.00		NIST
Tboil	629.83	K	Relay (1.0) Calculated Property
Tc	840.70	K	Relay (1.0) Calculated Property
Tfus	382.09	K	Relay (1.0) Calculated Property
Vc	0.806	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Piperazine, 1-(3-trifluoromethylphenyl), 4-acetyl, acetoxy-M.

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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