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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [507.15; 1141.79] 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 A3.10300e+01
Coefficient B2.03270e+00
Coefficient C-1.10830e-03
Coefficient D1.86360e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 507.15 J/mol×K 273.00 Calculated Property
Cp,gas 619.69 J/mol×K 353.78 Calculated Property
Cp,gas 720.35 J/mol×K 434.56 Calculated Property
Cp,gas 809.72 J/mol×K 515.33 Calculated Property
Cp,gas 888.39 J/mol×K 596.11 Calculated Property
Cp,gas 956.94 J/mol×K 676.89 Calculated Property
Cp,gas 1015.97 J/mol×K 757.67 Calculated Property
Cp,gas 1066.06 J/mol×K 838.44 Calculated Property
Cp,gas 1107.80 J/mol×K 919.22 Calculated Property
Cp,gas 1141.79 J/mol×K 1000.00 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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