Chemical Properties of DL-Alanine, N-methyl-N-(3-chloro-2-methylpropoxycarbonyl)-, dodecyl ester

DL-Alanine, N-methyl-N-(3-chloro-2-methylpropoxycarbonyl)-, dodecyl ester

InChI
InChI=1S/C21H40ClNO4/c1-5-6-7-8-9-10-11-12-13-14-15-26-20(24)19(3)23(4)21(25)27-17-18(2)16-22/h18-19H,5-17H2,1-4H3
InChI Key
SGTAFXXYGUTWDM-UHFFFAOYSA-N
Formula
C21H40ClNO4
SMILES
CCCCCCCCCCCCOC(=O)C(C)N(C)C(=O)OCC(C)CCl
Molecular Weight1
406.00
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Physical Properties

Property Value Unit Source
ΔfH°gas -1124.07 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 59.06 kJ/mol Joback Calculated Property
ΔvapH° 113.33 kJ/mol Relay (1.0) Calculated Property
log10WS -5.49 Relay (1.0) Calculated Property
logPoct/wat 5.782 Crippen Calculated Property
McVol 343.850 ml/mol McGowan Calculated Property
Inp [2500.00; 2500.00]   Show Hide
Inp 2500.00 NIST
Inp 2500.00 NIST
Tboil 628.71 K Relay (1.0) Calculated Property
Tfus 288.93 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 [511.93; 1166.33] 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 A3.34530e+01
Coefficient B2.03178e+00
Coefficient C-1.06880e-03
Coefficient D1.69900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 511.93 J/mol×K 273.00 Calculated Property
Cp,gas 626.00 J/mol×K 353.78 Calculated Property
Cp,gas 728.49 J/mol×K 434.56 Calculated Property
Cp,gas 819.91 J/mol×K 515.33 Calculated Property
Cp,gas 900.81 J/mol×K 596.11 Calculated Property
Cp,gas 971.73 J/mol×K 676.89 Calculated Property
Cp,gas 1033.21 J/mol×K 757.67 Calculated Property
Cp,gas 1085.77 J/mol×K 838.44 Calculated Property
Cp,gas 1129.97 J/mol×K 919.22 Calculated Property
Cp,gas 1166.33 J/mol×K 1000.00 Calculated Property

Similar Compounds

DL-Alanine, N-methyl-N-(3-chloro-2-methylpropoxycarbonyl)-, octyl ester. DL-Alanine, N-methyl-N-(3-chloro-2-methylpropoxycarbonyl)-, heptyl ester. DL-Alanine, N-methyl-N-(3-chloro-2-methylpropoxycarbonyl)-, decyl ester. DL-Alanine, N-methyl-N-(3-chloro-2-methylpropoxycarbonyl)-, tridecyl ester. DL-Alanine, N-methyl-N-(3-chloro-2-methylpropoxycarbonyl)-, undecyl ester. DL-Alanine, N-methyl-N-(3-chloro-2-methylpropoxycarbonyl)-, nonyl ester. DL-Alanine, N-methyl-N-(3-chloro-2-methylpropoxycarbonyl)-, hexyl ester. DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, pentadecyl ester. DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, octadecyl ester. DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, hexadecyl ester. DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, nonyl ester. DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, undecyl ester. DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, tridecyl ester. DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, decyl ester. DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, octyl ester.

Find more compounds similar to DL-Alanine, N-methyl-N-(3-chloro-2-methylpropoxycarbonyl)-, dodecyl ester.

Sources

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