Chemical Properties of 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)-, octyl ester

InChI
InChI=1S/C25H44N2O5/c1-9-11-13-14-15-16-18-31-24(29)22(20(5)6)26(7)23(28)21(19(3)4)27(8)25(30)32-17-12-10-2/h2,19-22H,9,11-18H2,1,3-8H3
InChI Key
LYILOXSDVVJYCH-UHFFFAOYSA-N
Formula
C25H44N2O5
SMILES
C#CCCOC(=O)N(C)C(C(=O)N(C)C(C(=O)OCCCCCCCC)C(C)C)C(C)C
Molecular Weight1
452.63
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Physical Properties

Property Value Unit Source
ΔfusH° 62.60 kJ/mol Joback Calculated Property
log10WS -4.67 Relay (1.0) Calculated Property
logPoct/wat 4.489 Crippen Calculated Property
McVol 390.920 ml/mol McGowan Calculated Property
Inp [2721.00; 2721.00]   Show Hide
Inp 2721.00 NIST
Inp 2721.00 NIST
Tboil 663.44 K Relay (1.0) Calculated Property
Tfus 335.65 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1329.33; 1414.01] J/mol×K [991.09; 1215.52] Show Hide
Cp,gas 1329.33 J/mol×K 991.09 Joback Calculated Property
Cp,gas 1347.03 J/mol×K 1028.50 Joback Calculated Property
Cp,gas 1363.20 J/mol×K 1065.90 Joback Calculated Property
Cp,gas 1377.90 J/mol×K 1103.31 Joback Calculated Property
Cp,gas 1391.22 J/mol×K 1140.71 Joback Calculated Property
Cp,gas 1403.23 J/mol×K 1178.12 Joback Calculated Property
Cp,gas 1414.01 J/mol×K 1215.52 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to DL-Valyl-DL-Valine, N,N'-dimethyl-N'-(but-3-yn-1-yloxycarbonyl)-, octyl ester.

Sources

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