Chemical Properties of DL-Alanyl-DL-alanine, N,N'-dimethyl-N'-(3-chloropropoxycarbonyl)-, octyl ester

DL-Alanyl-DL-alanine, N,N'-dimethyl-N'-(3-chloropropoxycarbonyl)-, octyl ester

InChI
InChI=1S/C20H37ClN2O5/c1-6-7-8-9-10-11-14-27-19(25)17(3)22(4)18(24)16(2)23(5)20(26)28-15-12-13-21/h16-17H,6-15H2,1-5H3
InChI Key
MBULMBGHZLUKIL-UHFFFAOYSA-N
Formula
C20H37ClN2O5
SMILES
CCCCCCCCOC(=O)C(C)N(C)C(=O)C(C)N(C)C(=O)OCCCCl
Molecular Weight1
420.98
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Physical Properties

Property Value Unit Source
ΔfH°gas -1176.70 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 61.09 kJ/mol Joback Calculated Property
ΔvapH° 108.69 kJ/mol Relay (1.0) Calculated Property
log10WS -3.67 Relay (1.0) Calculated Property
logPoct/wat 3.823 Crippen Calculated Property
McVol 341.310 ml/mol McGowan Calculated Property
Inp [2286.00; 2286.00]   Show Hide
Inp 2286.00 NIST
Inp 2286.00 NIST
Tboil 623.89 K Relay (1.0) Calculated Property
Tfus 306.17 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 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 [1093.09; 1170.82] J/mol×K [888.94; 1088.49] Show Hide
Cp,gas 1093.09 J/mol×K 888.94 Joback Calculated Property
Cp,gas 1109.19 J/mol×K 922.20 Joback Calculated Property
Cp,gas 1123.97 J/mol×K 955.46 Joback Calculated Property
Cp,gas 1137.49 J/mol×K 988.72 Joback Calculated Property
Cp,gas 1149.77 J/mol×K 1021.98 Joback Calculated Property
Cp,gas 1160.87 J/mol×K 1055.24 Joback Calculated Property
Cp,gas 1170.82 J/mol×K 1088.49 Joback Calculated Property

Similar Compounds

DL-Alanyl-DL-alanine, N,N'-dimethyl-N'-(3-chloropropoxycarbonyl)-, nonyl ester. DL-Alanyl-DL-alanine, N,N'-dimethyl-N'-(3-chloropropoxycarbonyl)-, heptyl ester. DL-Alanyl-DL-alanine, N,N'-dimethyl-N'-octyloxycarbonyl-, octyl ester. DL-Alanyl-DL-alanine, N,N'-dimethyl-N'-hexyloxycarbonyl-, hexyl ester. DL-Alanyl-DL-alanyl-DL-alanine, N,N',N''-trimethyl-N''-octyloxycarbonyl-, octyl ester. DL-Alanyl-DL-alanyl-DL-alanine, N,N',N''-trimethyl-N'''-hexyloxycarbonyl-, hexyl ester. DL-Alanyl-DL-alanine, N,N'-dimethyl-N'-(byt-4-en-1-yloxycarbonyl)-, tetradecyl ester. DL-Alanyl-DL-alanine, N,N'-dimethyl-N'-(byt-4-en-1-yloxycarbonyl)-, octyl ester. DL-Alanyl-DL-alanine, N,N'-dimethyl-N'-(byt-4-en-1-yloxycarbonyl)-, heptyl ester. DL-Alanyl-DL-alanine, N,N'-dimethyl-N'-(byt-4-en-1-yloxycarbonyl)-, hexyl ester. DL-Alanyl-DL-alanine, N,N'-dimethyl-N'-(byt-4-en-1-yloxycarbonyl)-, pentyl ester. DL-Alanyl-DL-alanine, N,N'-dimethyl-N'-(2-ethylhexyloxycarbonyl)-, 2-ethylhexyl ester. DL-Alanyl-DL-alanyl-DL-alanine, N,N',N''-trimethyl-N''-(2-ethylhexyloxycarbonyl)-, 2-ethylhexyl ester. DL-Alanyl-DL-alanine, N,N'-dimethyl-N'-(byt-4-en-1-yloxycarbonyl)-, byt-4-en-1-yl ester. DL-Valyl-DL-Valine, N,N'-dimethyl-N'-(3-chloropropoxycarbonyl)-, octyl ester.

Find more compounds similar to DL-Alanyl-DL-alanine, N,N'-dimethyl-N'-(3-chloropropoxycarbonyl)-, octyl ester.

Sources

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