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

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

InChI
InChI=1S/C13H24ClNO4/c1-5-6-7-18-12(16)11(3)15(4)13(17)19-9-10(2)8-14/h10-11H,5-9H2,1-4H3
InChI Key
HEAIYRORUHUARO-UHFFFAOYSA-N
Formula
C13H24ClNO4
SMILES
CCCCOC(=O)C(C)N(C)C(=O)OCC(C)CCl
Molecular Weight1
293.79
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Physical Properties

Property Value Unit Source
ΔfH°gas -964.46 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 38.34 kJ/mol Joback Calculated Property
ΔvapH° 83.47 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 2.661 Crippen Calculated Property
McVol 231.130 ml/mol McGowan Calculated Property
Inp [1755.00; 1755.00]   Show Hide
Inp 1755.00 NIST
Inp 1755.00 NIST
Tboil 569.01 K Relay (1.0) Calculated Property
Tfus 251.27 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 [342.22; 753.61] 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 A4.07250e+01
Coefficient B1.27178e+00
Coefficient C-6.33600e-04
Coefficient D7.47000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 342.22 J/mol×K 273.00 Calculated Property
Cp,gas 414.66 J/mol×K 353.78 Calculated Property
Cp,gas 479.87 J/mol×K 434.56 Calculated Property
Cp,gas 538.07 J/mol×K 515.33 Calculated Property
Cp,gas 589.52 J/mol×K 596.11 Calculated Property
Cp,gas 634.44 J/mol×K 676.89 Calculated Property
Cp,gas 673.08 J/mol×K 757.67 Calculated Property
Cp,gas 705.66 J/mol×K 838.44 Calculated Property
Cp,gas 732.42 J/mol×K 919.22 Calculated Property
Cp,gas 753.60 J/mol×K 1000.00 Calculated Property

Similar Compounds

DL-Alanine, N-methyl-N-(3-chloro-2-methylpropoxycarbonyl)-, hexyl ester. DL-Alanine, N-methyl-N-(3-chloro-2-methylpropoxycarbonyl)-, nonyl ester. DL-Alanine, N-methyl-N-(3-chloro-2-methylpropoxycarbonyl)-, octyl ester. DL-Alanine, N-methyl-N-(3-chloro-2-methylpropoxycarbonyl)-, undecyl ester. DL-Alanine, N-methyl-N-(3-chloro-2-methylpropoxycarbonyl)-, decyl ester. DL-Alanine, N-methyl-N-(3-chloro-2-methylpropoxycarbonyl)-, heptyl ester. DL-Alanine, N-methyl-N-(3-chloro-2-methylpropoxycarbonyl)-, tridecyl ester. DL-Alanine, N-methyl-N-(3-chloro-2-methylpropoxycarbonyl)-, dodecyl ester. DL-Alanine, N-methyl-N-(3-chloro-2-methylpropoxycarbonyl)-, propyl ester. DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, pentyl ester. DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, hexyl ester. DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, tetradecyl ester. DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, hexadecyl ester. DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, heptadecyl ester. DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, heptyl ester.

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

Sources

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