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

(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
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Physical Properties

Property Value Unit Source
ΔfusH° 30.17 kJ/mol Joback Calculated Property
logPoct/wat 0.180 Crippen Calculated Property
McVol 149.910 ml/mol McGowan Calculated Property
Inp [1790.00; 1790.00]   Show Hide
Inp 1790.00 NIST
Inp 1790.00 NIST

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, Log10 of Water solubility in mol/l 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [207.51; 536.08] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A4.17430e+01
Coefficient B5.91040e-01
Coefficient C1.17800e-04
Coefficient D-2.14500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 207.51 J/mol×K 273.00 Calculated Property
Cp,gas 256.09 J/mol×K 353.78 Calculated Property
Cp,gas 303.23 J/mol×K 434.56 Calculated Property
Cp,gas 348.25 J/mol×K 515.33 Calculated Property
Cp,gas 390.49 J/mol×K 596.11 Calculated Property
Cp,gas 429.26 J/mol×K 676.89 Calculated Property
Cp,gas 463.88 J/mol×K 757.67 Calculated Property
Cp,gas 493.68 J/mol×K 838.44 Calculated Property
Cp,gas 517.97 J/mol×K 919.22 Calculated Property
Cp,gas 536.08 J/mol×K 1000.00 Calculated Property

Similar Compounds

N-ACETYLNORVALINE METHYLAMIDE. (l,l)-cis-3,6-Diisobutylpiperazine-2,5-dione. 2,5-Piperazinedione, 3,6-bis(2-methylpropyl)-. 2,5-Piperazinedione, 3,6-bis(2-methylpropyl)-, trans-. N-acetyl-N'-methyl-DL-leucinamide. Glycine, N-(N-glycyl-L-leucyl)-. Cyclo-Ala-Pro-diketopiperazine. Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(2-methylpropyl)-. lys-val. dl-Alanyl-dl-norleucine. Cyclo-Val-Pro-diketopiperazine. 2,5-Piperazinedione, 3-methyl-6-(1-methylethyl)-. pro-val. Cyclo-Ile-Pro-diketopiperazine. N-Acetyl-D-leucine amide.

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

Sources

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