Chemical Properties of DL-Alanine, N-methyl-N-(byt-2-yn-1-yloxycarbonyl)-, heptyl ester

DL-Alanine, N-methyl-N-(byt-2-yn-1-yloxycarbonyl)-, heptyl ester

InChI
InChI=1S/C16H27NO4/c1-5-7-9-10-11-13-20-15(18)14(3)17(4)16(19)21-12-8-6-2/h14H,5,7,9-13H2,1-4H3
InChI Key
GQYHMYKIRNLMDG-UHFFFAOYSA-N
Formula
C16H27NO4
SMILES
CC#CCOC(=O)N(C)C(C)C(=O)OCCCCCCC
Molecular Weight1
297.39
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Physical Properties

Property Value Unit Source
ΔfusH° 48.55 kJ/mol Joback Calculated Property
ΔvapH° 91.58 kJ/mol Relay (1.0) Calculated Property
log10WS -3.43 Relay (1.0) Calculated Property
logPoct/wat 2.980 Crippen Calculated Property
McVol 252.560 ml/mol McGowan Calculated Property
Inp [2033.00; 2033.00]   Show Hide
Inp 2033.00 NIST
Inp 2033.00 NIST
Tboil 575.82 K Relay (1.0) Calculated Property
Tfus 293.34 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 [375.87; 838.45] 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 A4.43470e+01
Coefficient B1.39428e+00
Coefficient C-6.81060e-04
Coefficient D8.08800e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 375.87 J/mol×K 273.00 Calculated Property
Cp,gas 455.95 J/mol×K 353.78 Calculated Property
Cp,gas 528.27 J/mol×K 434.56 Calculated Property
Cp,gas 593.07 J/mol×K 515.33 Calculated Property
Cp,gas 650.61 J/mol×K 596.11 Calculated Property
Cp,gas 701.16 J/mol×K 676.89 Calculated Property
Cp,gas 744.96 J/mol×K 757.67 Calculated Property
Cp,gas 782.27 J/mol×K 838.44 Calculated Property
Cp,gas 813.35 J/mol×K 919.22 Calculated Property
Cp,gas 838.45 J/mol×K 1000.00 Calculated Property

Similar Compounds

DL-Alanine, N-methyl-N-(byt-2-yn-1-yloxycarbonyl)-, octyl ester. DL-Alanine, N-methyl-N-(byt-2-yn-1-yloxycarbonyl)-, hexadecyl ester. DL-Alanine, N-methyl-N-(byt-2-yn-1-yloxycarbonyl)-, dodecyl ester. DL-Alanine, N-methyl-N-(byt-2-yn-1-yloxycarbonyl)-, decyl ester. DL-Alanine, N-methyl-N-(byt-2-yn-1-yloxycarbonyl)-, heptadecyl ester. DL-Alanine, N-methyl-N-(byt-2-yn-1-yloxycarbonyl)-, nonyl ester. DL-Alanine, N-methyl-N-(byt-2-yn-1-yloxycarbonyl)-, tridecyl ester. DL-Alanine, N-methyl-N-(byt-2-yn-1-yloxycarbonyl)-, tetradecyl ester. DL-Alanine, N-methyl-N-(byt-2-yn-1-yloxycarbonyl)-, octadecyl ester. DL-Alanine, N-methyl-N-(byt-2-yn-1-yloxycarbonyl)-, undecyl ester. DL-Alanine, N-methyl-N-(byt-2-yn-1-yloxycarbonyl)-, hexyl ester. DL-Alanine, N-methyl-N-hexyloxycarbonyl-, heptyl ester. DL-Alanine, N-methyl-N-decyloxycarbonyl-, decyl ester. DL-Alanine, N-methyl-N-hexyloxycarbonyl-, pentadecyl ester. DL-Alanine, N-methyl-N-hexyloxycarbonyl-, dodecyl ester.

Find more compounds similar to DL-Alanine, N-methyl-N-(byt-2-yn-1-yloxycarbonyl)-, heptyl ester.

Sources

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