Chemical Properties of DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, pentyl ester

DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, pentyl ester

InChI
InChI=1S/C13H24ClNO4/c1-4-5-6-9-18-12(16)11(2)15(3)13(17)19-10-7-8-14/h11H,4-10H2,1-3H3
InChI Key
GGBACCKOAOQSJR-UHFFFAOYSA-N
Formula
C13H24ClNO4
SMILES
CCCCCOC(=O)C(C)N(C)C(=O)OCCCCl
Molecular Weight1
293.79
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Physical Properties

Property Value Unit Source
ΔfH°gas -929.68 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 41.86 kJ/mol Joback Calculated Property
ΔvapH° 85.50 kJ/mol Relay (1.0) Calculated Property
log10WS -2.64 Relay (1.0) Calculated Property
logPoct/wat 2.806 Crippen Calculated Property
McVol 231.130 ml/mol McGowan Calculated Property
Pc 1616.77 kPa Joback Calculated Property
Inp [1913.00; 1913.00]   Show Hide
Inp 1913.00 NIST
Inp 1913.00 NIST
Tboil 570.56 K Relay (1.0) Calculated Property
Tc 770.55 K Relay (1.0) Calculated Property
Tfus 258.27 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [342.53; 753.07] 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 A4.24070e+01
Coefficient B1.26586e+00
Coefficient C-6.30400e-04
Coefficient D7.52000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 342.53 J/mol×K 273.00 Calculated Property
Cp,gas 414.67 J/mol×K 353.78 Calculated Property
Cp,gas 479.62 J/mol×K 434.56 Calculated Property
Cp,gas 537.62 J/mol×K 515.33 Calculated Property
Cp,gas 588.92 J/mol×K 596.11 Calculated Property
Cp,gas 633.74 J/mol×K 676.89 Calculated Property
Cp,gas 672.33 J/mol×K 757.67 Calculated Property
Cp,gas 704.92 J/mol×K 838.44 Calculated Property
Cp,gas 731.75 J/mol×K 919.22 Calculated Property
Cp,gas 753.07 J/mol×K 1000.00 Calculated Property

Similar Compounds

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)-, octyl ester. DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, pentadecyl ester. DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, heptadecyl ester. DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, undecyl ester. DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, octadecyl ester. DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, nonyl ester. DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, hexadecyl ester. DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, dodecyl ester. DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, tridecyl ester. DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, heptyl ester. DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, decyl ester. DL-Alanine, N-methyl-N-hexyloxycarbonyl-, pentyl ester. DL-Alanine, N-methyl-N-hexyloxycarbonyl-, hexyl ester.

Find more compounds similar to DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, pentyl ester.

Sources

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