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

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

InChI
InChI=1S/C21H39ClN2O5/c1-6-7-8-9-10-11-12-15-28-20(26)18(3)23(4)19(25)17(2)24(5)21(27)29-16-13-14-22/h17-18H,6-16H2,1-5H3
InChI Key
RITFJYUFJFEZJH-UHFFFAOYSA-N
Formula
C21H39ClN2O5
SMILES
CCCCCCCCCOC(=O)C(C)N(C)C(=O)C(C)N(C)C(=O)OCCCCl
Molecular Weight1
435.00
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Physical Properties

Property Value Unit Source
ΔfH°gas -1197.00 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 63.68 kJ/mol Joback Calculated Property
ΔvapH° 112.94 kJ/mol Relay (1.0) Calculated Property
log10WS -4.03 Relay (1.0) Calculated Property
logPoct/wat 4.213 Crippen Calculated Property
McVol 355.400 ml/mol McGowan Calculated Property
Inp [2195.00; 2195.00]   Show Hide
Inp 2195.00 NIST
Inp 2195.00 NIST
Tboil 630.83 K Relay (1.0) Calculated Property
Tfus 308.85 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 [528.36; 1193.38] 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 A3.01210e+01
Coefficient B2.12770e+00
Coefficient C-1.16270e-03
Coefficient D1.98260e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 528.36 J/mol×K 273.00 Calculated Property
Cp,gas 646.11 J/mol×K 353.78 Calculated Property
Cp,gas 751.43 J/mol×K 434.56 Calculated Property
Cp,gas 844.95 J/mol×K 515.33 Calculated Property
Cp,gas 927.30 J/mol×K 596.11 Calculated Property
Cp,gas 999.10 J/mol×K 676.89 Calculated Property
Cp,gas 1060.98 J/mol×K 757.67 Calculated Property
Cp,gas 1113.57 J/mol×K 838.44 Calculated Property
Cp,gas 1157.50 J/mol×K 919.22 Calculated Property
Cp,gas 1193.38 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

Sources

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