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

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

InChI
InChI=1S/C11H19Cl2NO4/c1-9(10(15)17-7-3-5-12)14(2)11(16)18-8-4-6-13/h9H,3-8H2,1-2H3
InChI Key
SJXUQVYCJBCXSB-UHFFFAOYSA-N
Formula
C11H19Cl2NO4
SMILES
CC(C(=O)OCCCCl)N(C)C(=O)OCCCCl
Molecular Weight1
300.18
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Physical Properties

Property Value Unit Source
ΔfH°gas -907.32 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 40.88 kJ/mol Joback Calculated Property
ΔvapH° 88.06 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 2.244 Crippen Calculated Property
McVol 215.190 ml/mol McGowan Calculated Property
Inp 2004.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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 [313.51; 658.16] 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 A5.71160e+01
Coefficient B1.08264e+00
Coefficient C-5.42000e-04
Coefficient D6.04000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 313.51 J/mol×K 273.00 Calculated Property
Cp,gas 374.97 J/mol×K 353.78 Calculated Property
Cp,gas 430.19 J/mol×K 434.56 Calculated Property
Cp,gas 479.36 J/mol×K 515.33 Calculated Property
Cp,gas 522.69 J/mol×K 596.11 Calculated Property
Cp,gas 560.34 J/mol×K 676.89 Calculated Property
Cp,gas 592.53 J/mol×K 757.67 Calculated Property
Cp,gas 619.43 J/mol×K 838.44 Calculated Property
Cp,gas 641.24 J/mol×K 919.22 Calculated Property
Cp,gas 658.16 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

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

Sources

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