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

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

InChI
InChI=1S/C17H32ClNO4/c1-5-6-7-8-9-10-11-22-16(20)15(3)19(4)17(21)23-13-14(2)12-18/h14-15H,5-13H2,1-4H3
InChI Key
BVZRUGBSEAIOBC-UHFFFAOYSA-N
Formula
C17H32ClNO4
SMILES
CCCCCCCCOC(=O)C(C)N(C)C(=O)OCC(C)CCl
Molecular Weight1
349.89
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Physical Properties

Property Value Unit Source
ΔfH°gas -1040.97 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 48.70 kJ/mol Joback Calculated Property
ΔvapH° 96.99 kJ/mol Relay (1.0) Calculated Property
log10WS -4.14 Relay (1.0) Calculated Property
logPoct/wat 4.222 Crippen Calculated Property
McVol 287.490 ml/mol McGowan Calculated Property
Inp [2120.00; 2120.00]   Show Hide
Inp 2120.00 NIST
Inp 2120.00 NIST
Tboil 600.90 K Relay (1.0) Calculated Property
Tfus 272.06 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 [427.07; 959.97] 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 A3.70890e+01
Coefficient B1.65178e+00
Coefficient C-8.51200e-04
Coefficient D1.22300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 427.07 J/mol×K 273.00 Calculated Property
Cp,gas 520.33 J/mol×K 353.78 Calculated Property
Cp,gas 604.18 J/mol×K 434.56 Calculated Property
Cp,gas 678.99 J/mol×K 515.33 Calculated Property
Cp,gas 745.17 J/mol×K 596.11 Calculated Property
Cp,gas 803.09 J/mol×K 676.89 Calculated Property
Cp,gas 853.14 J/mol×K 757.67 Calculated Property
Cp,gas 895.72 J/mol×K 838.44 Calculated Property
Cp,gas 931.20 J/mol×K 919.22 Calculated Property
Cp,gas 959.97 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

Sources

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