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

2,5-Piperazinedione, 3-methyl-6-(phenylmethyl)-

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
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Physical Properties

Property Value Unit Source
ω 0.5468 Relay (1.0) Calculated Property
ΔcH°solid -6351.00 ± 3.00 kJ/mol NIST
ΔfG° 109.55 kJ/mol Joback Calculated Property
ΔfH°gas -252.77 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 31.98 kJ/mol Joback Calculated Property
ΔvapH° 108.03 kJ/mol Relay (1.0) Calculated Property
IE 8.65 eV Relay (1.0) Calculated Property
log10WS -1.88 Relay (1.0) Calculated Property
logPoct/wat 0.232 Crippen Calculated Property
McVol 168.420 ml/mol McGowan Calculated Property
Pc 3276.53 kPa Joback Calculated Property
Tboil 585.07 K Relay (1.0) Calculated Property
Tc 884.71 K Relay (1.0) Calculated Property
Tfus 414.27 K Relay (1.0) Calculated Property
Vc 0.602 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [494.45; 575.60] J/mol×K [748.26; 1018.82] Show Hide
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

2,5-Piperazinedione, 3,6-bis(phenylmethyl)-. 2,5-Piperazinedione, 3-(phenylmethyl)-. 3-((4-Hydroxyphenyl)-methyl)-2,5-piperazinedione. 2,5-Piperazinedione, 3-benzyl-6-isopropyl-. N-acetyl-N'-methyl-L-alpha-tyrosinamide. Trimethylsilyl (5-benzyl-3,6-dioxopiperazin-2-yl)acetate. Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(phenylmethyl)-. L-Phe-L-Pro lactam. N-Valylphenylalanine. Tyr-Ala, N,O-bis(trimethylsilyl)-, trimethylsilyl ester. L-Alanine, N-[N-[N-[N-(1-oxodecyl)glycyl]-L-tryptophyl]-L-alanyl]-, methyl ester. Quinapril desethyl - H2O Me (Quinaprilate - H2O Me). Moexipril desethyl - H2O Me (Moexprilate - H2O Me). Serine-lysine-tyrosine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative. Aspartic acid-phenylalanine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative.

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

Sources

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