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

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

InChI
InChI=1S/C21H39ClN2O5/c1-8-9-10-13-28-20(26)18(16(4)5)23(6)19(25)17(15(2)3)24(7)21(27)29-14-11-12-22/h15-18H,8-14H2,1-7H3
InChI Key
CZCWZIMDFOJTOA-UHFFFAOYSA-N
Formula
C21H39ClN2O5
SMILES
CCCCCOC(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)OCCCCl
Molecular Weight1
435.00
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Physical Properties

Property Value Unit Source
ΔfusH° 53.47 kJ/mol Joback Calculated Property
log10WS -3.75 Relay (1.0) Calculated Property
logPoct/wat 3.925 Crippen Calculated Property
McVol 355.400 ml/mol McGowan Calculated Property
Inp [2584.00; 2584.00]   Show Hide
Inp 2584.00 NIST
Inp 2584.00 NIST
Tboil 622.95 K Relay (1.0) Calculated Property
Tfus 307.53 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 [1169.38; 1247.07] J/mol×K [946.88; 1159.30] Show Hide
Cp,gas 1169.38 J/mol×K 946.88 Joback Calculated Property
Cp,gas 1185.66 J/mol×K 982.28 Joback Calculated Property
Cp,gas 1200.54 J/mol×K 1017.69 Joback Calculated Property
Cp,gas 1214.07 J/mol×K 1053.09 Joback Calculated Property
Cp,gas 1226.31 J/mol×K 1088.49 Joback Calculated Property
Cp,gas 1237.29 J/mol×K 1123.89 Joback Calculated Property
Cp,gas 1247.07 J/mol×K 1159.30 Joback Calculated Property

Similar Compounds

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

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

Sources

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