Chemical Properties of (3S,6S)-3-Butyl-6-methylpiperazine-2,5-dione

InChI

InChI=1S/C9H16N2O2/c1-3-4-5-7-9(13)10-6(2)8(12)11-7/h6-7H,3-5H2,1-2H3,(H,10,13)(H,11,12)

InChI Key

SHYWDFCZXCPLHM-UHFFFAOYSA-N

Formula

C9H16N2O2

SMILES

CCCCC1NC(=O)C(C)NC1=O

Molecular Weight¹

184.24

• 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).
• 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
ΔfG°	-28.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-394.89	kJ/mol	Joback Calculated Property
ΔfusH°	30.17	kJ/mol	Joback Calculated Property
ΔvapH°	57.76	kJ/mol	Joback Calculated Property
log10WS	-1.64		Crippen Calculated Property
logPoct/wat	0.180		Crippen Calculated Property
McVol	149.910	ml/mol	McGowan Calculated Property
Pc	3121.00	kPa	Joback Calculated Property
Inp	[1790.00; 1790.00]
Inp	1790.00		NIST
Inp	1790.00		NIST
Tboil	652.94	K	Joback Calculated Property
Tc	891.42	K	Joback Calculated Property
Tfus	540.83	K	Joback Calculated Property
Vc	0.559	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[418.17; 510.27]	J/mol×K	[652.94; 891.42]
Cp,gas	418.17	J/mol×K	652.94	Joback Calculated Property
Cp,gas	436.38	J/mol×K	692.69	Joback Calculated Property
Cp,gas	453.55	J/mol×K	732.43	Joback Calculated Property
Cp,gas	469.61	J/mol×K	772.18	Joback Calculated Property
Cp,gas	484.47	J/mol×K	811.92	Joback Calculated Property
Cp,gas	498.05	J/mol×K	851.67	Joback Calculated Property
Cp,gas	510.27	J/mol×K	891.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to (3S,6S)-3-Butyl-6-methylpiperazine-2,5-dione.

Sources

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

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