Chemical Properties of DL-Valyl-DL-Valine, N,N'-dimethyl-N'-vinyloxycarbonyl-, hexyl ester

DL-Valyl-DL-Valine, N,N'-dimethyl-N'-vinyloxycarbonyl-, hexyl ester

InChI
InChI=1S/C21H38N2O5/c1-9-11-12-13-14-28-20(25)18(16(5)6)22(7)19(24)17(15(3)4)23(8)21(26)27-10-2/h10,15-18H,2,9,11-14H2,1,3-8H3
InChI Key
ZZLHPVNIRJUUBT-UHFFFAOYSA-N
Formula
C21H38N2O5
SMILES
C=COC(=O)N(C)C(C(=O)N(C)C(C(=O)OCCCCCC)C(C)C)C(C)C
Molecular Weight1
398.54
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Physical Properties

Property Value Unit Source
ΔfusH° 51.15 kJ/mol Joback Calculated Property
log10WS -3.60 Relay (1.0) Calculated Property
logPoct/wat 3.829 Crippen Calculated Property
McVol 338.860 ml/mol McGowan Calculated Property
Inp [2297.00; 2297.00]   Show Hide
Inp 2297.00 NIST
Inp 2297.00 NIST
Tboil 614.61 K Relay (1.0) Calculated Property
Tfus 298.68 K Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [504.52; 1157.67] 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 A1.08750e+01
Coefficient B2.11274e+00
Coefficient C-1.17160e-03
Coefficient D2.05660e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 504.52 J/mol×K 273.00 Calculated Property
Cp,gas 620.79 J/mol×K 353.78 Calculated Property
Cp,gas 724.61 J/mol×K 434.56 Calculated Property
Cp,gas 816.65 J/mol×K 515.33 Calculated Property
Cp,gas 897.54 J/mol×K 596.11 Calculated Property
Cp,gas 967.95 J/mol×K 676.89 Calculated Property
Cp,gas 1028.51 J/mol×K 757.67 Calculated Property
Cp,gas 1079.89 J/mol×K 838.44 Calculated Property
Cp,gas 1122.73 J/mol×K 919.22 Calculated Property
Cp,gas 1157.68 J/mol×K 1000.00 Calculated Property

Similar Compounds

DL-Valyl-DL-Valine, N,N'-dimethyl-N'-vinyloxycarbonyl-, pentyl ester. DL-Valyl-DL-Valine, N,N'-dimethyl-N'-vinyloxycarbonyl-, octyl ester. DL-Valyl-DL-valine, N-methyl-N-hexyloxycarbonyl-, hexyl ester. DL-Valyl-DL-valine, N-methyl-N-octyloxycarbonyl-, octyl ester. DL-Valyl-DL-Valine, N,N'-dimethyl-N'-(but-3-yn-1-yloxycarbonyl)-, octyl ester. DL-Valyl-DL-Valine, N,N'-dimethyl-N'-(but-3-yn-1-yloxycarbonyl)-, heptyl ester. DL-Valyl-DL-Valine, N,N'-dimethyl-N'-(but-3-yn-1-yloxycarbonyl)-, pentyl ester. DL-Valyl-DL-Valine, N,N'-dimethyl-N'-(3-chloropropoxycarbonyl)-, octyl ester. DL-Valyl-DL-Valine, N,N'-dimethyl-N'-(3-chloropropoxycarbonyl)-, pentyl ester. DL-Valyl-DL-Valine, N,N'-dimethyl-N'-(but-3-yn-1-yloxycarbonyl)-, hexyl ester. DL-Valyl-DL-Valine, N,N'-dimethyl-N'-(but-3-yn-1-yloxycarbonyl)-, nonyl ester. DL-Valyl-DL-Valine, N,N'-dimethyl-N'-(3-chloropropoxycarbonyl)-, butyl ester. DL-Valyl-DL-Valine, N,N'-dimethyl-N'-(but-3-yn-1-yloxycarbonyl)-, butyl ester. DL-Valyl-DL-valine, N-methyl-N-(but-3-en-1-yloxycarbonyl)-, but-3-en-1-yl ester. DL-Valyl-DL-Valine, N,N'-dimethyl-N'-(3-chloropropoxycarbonyl)-, 3-chloropropyl ester.

Find more compounds similar to DL-Valyl-DL-Valine, N,N'-dimethyl-N'-vinyloxycarbonyl-, hexyl ester.

Sources

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