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

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

InChI
InChI=1S/C14H26ClNO4/c1-4-5-6-7-10-19-13(17)12(2)16(3)14(18)20-11-8-9-15/h12H,4-11H2,1-3H3
InChI Key
ALVHZDRXLQHAQG-UHFFFAOYSA-N
Formula
C14H26ClNO4
SMILES
CCCCCCOC(=O)C(C)N(C)C(=O)OCCCCl
Molecular Weight1
307.81
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Physical Properties

Property Value Unit Source
ΔfH°gas -948.35 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 44.45 kJ/mol Joback Calculated Property
ΔvapH° 89.33 kJ/mol Relay (1.0) Calculated Property
log10WS -3.05 Relay (1.0) Calculated Property
logPoct/wat 3.196 Crippen Calculated Property
McVol 245.220 ml/mol McGowan Calculated Property
Pc 1498.83 kPa Joback Calculated Property
Inp [2010.00; 2010.00]   Show Hide
Inp 2010.00 NIST
Inp 2010.00 NIST
Tboil 579.04 K Relay (1.0) Calculated Property
Tc 780.67 K Relay (1.0) Calculated Property
Tfus 262.07 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 [363.75; 804.66] 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 A4.14980e+01
Coefficient B1.36086e+00
Coefficient C-6.84800e-04
Coefficient D8.71000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 363.75 J/mol×K 273.00 Calculated Property
Cp,gas 441.09 J/mol×K 353.78 Calculated Property
Cp,gas 510.70 J/mol×K 434.56 Calculated Property
Cp,gas 572.85 J/mol×K 515.33 Calculated Property
Cp,gas 627.83 J/mol×K 596.11 Calculated Property
Cp,gas 675.90 J/mol×K 676.89 Calculated Property
Cp,gas 717.34 J/mol×K 757.67 Calculated Property
Cp,gas 752.43 J/mol×K 838.44 Calculated Property
Cp,gas 781.45 J/mol×K 919.22 Calculated Property
Cp,gas 804.66 J/mol×K 1000.00 Calculated Property

Similar Compounds

DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, pentadecyl ester. DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, nonyl ester. DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, heptyl 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)-, tetradecyl ester. DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, dodecyl ester. DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, decyl 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)-, octyl ester. DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, octadecyl ester. DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, pentyl 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)-, hexyl ester.

Sources

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