Chemical Properties of 3,6-Dimethylpiperazine-2,5-dione (CAS 5625-46-7)

InChI

InChI=1S/C6H10N2O2/c1-3-5(9)8-4(2)6(10)7-3/h3-4H,1-2H3,(H,7,10)(H,8,9)

InChI Key

WWISPHBAYBECQZ-UHFFFAOYSA-N

Formula

C6H10N2O2

SMILES

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

Molecular Weight¹

142.16

CAS

5625-46-7

Other Names

• 2,5-Piperazinedione, 3,6-dimethyl-
• 3,6-Dimethyl-2,5-piperazinedione
• 3,6-Dimethyldiketopiperazine
• Alanine anhydride
• dl-Alanine anhydride

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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_sub : Sublimation pressure (kPa).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	[-3301.10; -3300.00]	kJ/mol
ΔcH°solid	-3300.00	kJ/mol	NIST
ΔcH°solid	-3301.10	kJ/mol	NIST
ΔfusH°	22.40	kJ/mol	Joback Calculated Property
log10WS	-0.78		Relay (1.0) Calculated Property
logPoct/wat	-0.991		Crippen Calculated Property
McVol	107.640	ml/mol	McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[269.39; 351.37]	J/mol×K	[584.50; 839.40]
Cp,gas	269.39	J/mol×K	584.50	Joback Calculated Property
Cp,gas	285.15	J/mol×K	626.98	Joback Calculated Property
Cp,gas	300.22	J/mol×K	669.47	Joback Calculated Property
Cp,gas	314.50	J/mol×K	711.95	Joback Calculated Property
Cp,gas	327.86	J/mol×K	754.44	Joback Calculated Property
Cp,gas	340.19	J/mol×K	796.92	Joback Calculated Property
Cp,gas	351.37	J/mol×K	839.40	Joback Calculated Property
Psub	[1.16e-04; 9.77e-04]	kPa	[388.13; 410.15]
Psub	1.16e-04	kPa	388.13	Experimental and computational study on the energetics of the cyclic anhydrides of glycine and alanine
Psub	1.26e-04	kPa	388.13	Experimental and computational study on the energetics of the cyclic anhydrides of glycine and alanine
Psub	1.16e-04	kPa	388.13	Experimental and computational study on the energetics of the cyclic anhydrides of glycine and alanine
Psub	1.49e-04	kPa	390.16	Experimental and computational study on the energetics of the cyclic anhydrides of glycine and alanine
Psub	1.42e-04	kPa	390.16	Experimental and computational study on the energetics of the cyclic anhydrides of glycine and alanine
Psub	1.40e-04	kPa	390.16	Experimental and computational study on the energetics of the cyclic anhydrides of glycine and alanine
Psub	1.79e-04	kPa	392.15	Experimental and computational study on the energetics of the cyclic anhydrides of glycine and alanine
Psub	1.71e-04	kPa	392.15	Experimental and computational study on the energetics of the cyclic anhydrides of glycine and alanine
Psub	2.16e-04	kPa	394.13	Experimental and computational study on the energetics of the cyclic anhydrides of glycine and alanine
Psub	2.12e-04	kPa	394.13	Experimental and computational study on the energetics of the cyclic anhydrides of glycine and alanine
Psub	2.60e-04	kPa	396.14	Experimental and computational study on the energetics of the cyclic anhydrides of glycine and alanine
Psub	2.47e-04	kPa	396.14	Experimental and computational study on the energetics of the cyclic anhydrides of glycine and alanine
Psub	2.67e-04	kPa	396.14	Experimental and computational study on the energetics of the cyclic anhydrides of glycine and alanine
Psub	3.09e-04	kPa	398.15	Experimental and computational study on the energetics of the cyclic anhydrides of glycine and alanine
Psub	2.98e-04	kPa	398.15	Experimental and computational study on the energetics of the cyclic anhydrides of glycine and alanine
Psub	3.25e-04	kPa	398.15	Experimental and computational study on the energetics of the cyclic anhydrides of glycine and alanine
Psub	3.88e-04	kPa	400.13	Experimental and computational study on the energetics of the cyclic anhydrides of glycine and alanine
Psub	3.71e-04	kPa	400.13	Experimental and computational study on the energetics of the cyclic anhydrides of glycine and alanine
Psub	3.87e-04	kPa	400.13	Experimental and computational study on the energetics of the cyclic anhydrides of glycine and alanine
Psub	4.54e-04	kPa	402.13	Experimental and computational study on the energetics of the cyclic anhydrides of glycine and alanine
Psub	4.63e-04	kPa	402.13	Experimental and computational study on the energetics of the cyclic anhydrides of glycine and alanine
Psub	4.36e-04	kPa	402.13	Experimental and computational study on the energetics of the cyclic anhydrides of glycine and alanine
Psub	5.63e-04	kPa	404.15	Experimental and computational study on the energetics of the cyclic anhydrides of glycine and alanine
Psub	5.43e-04	kPa	404.15	Experimental and computational study on the energetics of the cyclic anhydrides of glycine and alanine
Psub	6.96e-04	kPa	406.14	Experimental and computational study on the energetics of the cyclic anhydrides of glycine and alanine
Psub	6.93e-04	kPa	406.14	Experimental and computational study on the energetics of the cyclic anhydrides of glycine and alanine
Psub	6.77e-04	kPa	406.14	Experimental and computational study on the energetics of the cyclic anhydrides of glycine and alanine
Psub	8.21e-04	kPa	408.14	Experimental and computational study on the energetics of the cyclic anhydrides of glycine and alanine
Psub	8.18e-04	kPa	408.14	Experimental and computational study on the energetics of the cyclic anhydrides of glycine and alanine
Psub	7.85e-04	kPa	408.14	Experimental and computational study on the energetics of the cyclic anhydrides of glycine and alanine
Psub	9.55e-04	kPa	410.15	Experimental and computational study on the energetics of the cyclic anhydrides of glycine and alanine
Psub	9.77e-04	kPa	410.15	Experimental and computational study on the energetics of the cyclic anhydrides of glycine and alanine
Psub	9.27e-04	kPa	410.15	Experimental and computational study on the energetics of the cyclic anhydrides of glycine and alanine

Similar Compounds

Find more compounds similar to 3,6-Dimethylpiperazine-2,5-dione.

Mixtures

• 3,6-Dimethylpiperazine-2,5-dione + Water
• Cobalt chloride + 3,6-Dimethylpiperazine-2,5-dione + Water

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
• Experimental and computational study on the energetics of the cyclic anhydrides of glycine and alanine
• Volumetric, Acoustic, and Refractometric Study of Cyclic Alanylalanine in Aqueous Cobalt Chloride Solutions at Temperatures T = (293.15 to 313.15) K
• Joback Method
• McGowan Method
• NIST Webbook

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