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° 54.04 kJ/mol Joback Calculated Property
ΔvapH° 102.97 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 295.66 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [506.52; 1142.87] 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 A2.76660e+01
Coefficient B2.04454e+00
Coefficient C-1.11470e-03
Coefficient D1.85360e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 506.52 J/mol×K 273.00 Calculated Property
Cp,gas 619.67 J/mol×K 353.78 Calculated Property
Cp,gas 720.84 J/mol×K 434.56 Calculated Property
Cp,gas 810.62 J/mol×K 515.33 Calculated Property
Cp,gas 889.60 J/mol×K 596.11 Calculated Property
Cp,gas 958.35 J/mol×K 676.89 Calculated Property
Cp,gas 1017.46 J/mol×K 757.67 Calculated Property
Cp,gas 1067.53 J/mol×K 838.44 Calculated Property
Cp,gas 1109.14 J/mol×K 919.22 Calculated Property
Cp,gas 1142.87 J/mol×K 1000.00 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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