Chemical Properties of DL-Valyl-DL-Valine, N,N'-dimethyl-N'-(3-chloropropoxycarbonyl)-, butyl ester

DL-Valyl-DL-Valine, N,N'-dimethyl-N'-(3-chloropropoxycarbonyl)-, butyl ester

InChI
InChI=1S/C20H37ClN2O5/c1-8-9-12-27-19(25)17(15(4)5)22(6)18(24)16(14(2)3)23(7)20(26)28-13-10-11-21/h14-17H,8-13H2,1-7H3
InChI Key
XTDGDRQYVOOQJL-UHFFFAOYSA-N
Formula
C20H37ClN2O5
SMILES
CCCCOC(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)OCCCCl
Molecular Weight1
420.97
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Physical Properties

Property Value Unit Source
ΔfH°gas -1153.76 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 50.88 kJ/mol Joback Calculated Property
ΔvapH° 101.50 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.535 Crippen Calculated Property
McVol 341.310 ml/mol McGowan Calculated Property
Inp [2493.00; 2493.00]   Show Hide
Inp 2493.00 NIST
Inp 2493.00 NIST
Tboil 616.06 K Relay (1.0) Calculated Property
Tfus 301.62 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1108.28; 1185.31] J/mol×K [924.00; 1131.47] Show Hide
Cp,gas 1108.28 J/mol×K 924.00 Joback Calculated Property
Cp,gas 1124.26 J/mol×K 958.58 Joback Calculated Property
Cp,gas 1138.93 J/mol×K 993.16 Joback Calculated Property
Cp,gas 1152.33 J/mol×K 1027.73 Joback Calculated Property
Cp,gas 1164.50 J/mol×K 1062.31 Joback Calculated Property
Cp,gas 1175.48 J/mol×K 1096.89 Joback Calculated Property
Cp,gas 1185.31 J/mol×K 1131.47 Joback Calculated Property

Similar Compounds

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)-, 3-chloropropyl ester. DL-Valyl-DL-Valine, N,N'-dimethyl-N'-(but-3-yn-1-yloxycarbonyl)-, butyl 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-methyl-N-(but-3-en-1-yloxycarbonyl)-, but-3-en-1-yl 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'-(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'-(but-3-yn-1-yloxycarbonyl)-, octyl ester. DL-Valyl-DL-Valine, N,N'-dimethyl-N'-(but-3-yn-1-yloxycarbonyl)-, but-3-yn-1-yl ester. DL-Valyl-DL-Valine, N,N'-dimethyl-N'-vinyloxycarbonyl-, octyl ester. DL-Valyl-DL-Valine, N,N'-dimethyl-N'-vinyloxycarbonyl-, pentyl ester.

Find more compounds similar to DL-Valyl-DL-Valine, N,N'-dimethyl-N'-(3-chloropropoxycarbonyl)-, butyl ester.

Sources

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