Chemical Properties of 2,5-Piperazinedione, 3-methyl-6-(phenylmethyl)- (CAS 14474-78-3)

InChI

InChI=1S/C12H14N2O2/c1-8-11(15)14-10(12(16)13-8)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,13,16)(H,14,15)

InChI Key

CNXWPOWVDIUTPS-UHFFFAOYSA-N

Formula

C12H14N2O2

SMILES

CC1NC(=O)C(Cc2ccccc2)NC1=O

Molecular Weight¹

218.25

CAS

14474-78-3

Other Names

• 3-Benzyl-6-methyl-2,5-piperazinedione

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[494.45; 575.60]	J/mol×K	[748.26; 1018.82]
Cp,gas	494.45	J/mol×K	748.26	Joback Calculated Property
Cp,gas	512.75	J/mol×K	793.35	Joback Calculated Property
Cp,gas	529.25	J/mol×K	838.45	Joback Calculated Property
Cp,gas	543.87	J/mol×K	883.54	Joback Calculated Property
Cp,gas	556.52	J/mol×K	928.63	Joback Calculated Property
Cp,gas	567.13	J/mol×K	973.73	Joback Calculated Property
Cp,gas	575.60	J/mol×K	1018.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Piperazinedione, 3-methyl-6-(phenylmethyl)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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