Chemical Properties of L-Leucine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, butyl ester

L-Leucine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, butyl ester

InChI
InChI=1S/C16H27NO4/c1-6-8-10-20-15(18)14(12-13(3)4)17(5)16(19)21-11-9-7-2/h2,13-14H,6,8-12H2,1,3-5H3/t14-/m1/s1
InChI Key
OYYVPTHZSQQGLI-CQSZACIVSA-N
Formula
C16H27NO4
SMILES
C#CCCOC(=O)N(C)C(CC(C)C)C(=O)OCCCC
Molecular Weight1
297.39
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Physical Properties

Property Value Unit Source
ΔfH°gas -684.37 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 44.88 kJ/mol Joback Calculated Property
ΔvapH° 88.47 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 2.836 Crippen Calculated Property
McVol 252.560 ml/mol McGowan Calculated Property
Inp [1800.00; 1800.00]   Show Hide
Inp 1800.00 NIST
Inp 1800.00 NIST
Tboil 598.61 K Relay (1.0) Calculated Property
Tfus 264.32 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, 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 [381.27; 842.43] 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 A3.88860e+01
Coefficient B1.45608e+00
Coefficient C-7.72330e-04
Coefficient D1.19790e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 381.27 J/mol×K 273.00 Calculated Property
Cp,gas 462.66 J/mol×K 353.78 Calculated Property
Cp,gas 535.62 J/mol×K 434.56 Calculated Property
Cp,gas 600.54 J/mol×K 515.33 Calculated Property
Cp,gas 657.80 J/mol×K 596.11 Calculated Property
Cp,gas 707.78 J/mol×K 676.89 Calculated Property
Cp,gas 750.85 J/mol×K 757.67 Calculated Property
Cp,gas 787.39 J/mol×K 838.44 Calculated Property
Cp,gas 817.79 J/mol×K 919.22 Calculated Property
Cp,gas 842.43 J/mol×K 1000.00 Calculated Property

Similar Compounds

L-Leucine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, pentyl ester. L-Leucine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, nonyl ester. L-Leucine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, decyl ester. L-Leucine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, hexyl ester. L-Leucine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, hexadecyl ester. L-Leucine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, undecyl ester. L-Leucine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, octadecyl ester. L-Leucine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, pentadecyl ester. L-Leucine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, heptadecyl ester. L-Leucine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, tetradecyl ester. L-Leucine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, octyl ester. L-Leucine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, isohexyl ester. l-Leucine, n-butoxycarbonyl-N-methyl-, propyl ester. l-Leucine, n-butoxycarbonyl-N-methyl-, butyl ester. l-Leucine, N-methyl-n-propoxycarbonyl-, butyl ester.

Find more compounds similar to L-Leucine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, butyl ester.

Sources

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