Chemical Properties of DL-Alanine, N-methyl-N-(byt-3-yn-1-yloxycarbonyl)-, isobutyl ester

DL-Alanine, N-methyl-N-(byt-3-yn-1-yloxycarbonyl)-, isobutyl ester

InChI
InChI=1S/C13H21NO4/c1-6-7-8-17-13(16)14(5)11(4)12(15)18-9-10(2)3/h1,10-11H,7-9H2,2-5H3
InChI Key
NFUACZCPMBGRIU-UHFFFAOYSA-N
Formula
C13H21NO4
SMILES
C#CCCOC(=O)N(C)C(C)C(=O)OCC(C)C
Molecular Weight1
255.31
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Physical Properties

Property Value Unit Source
ΔfH°gas -642.00 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 37.11 kJ/mol Joback Calculated Property
ΔvapH° 79.07 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 1.666 Crippen Calculated Property
McVol 210.290 ml/mol McGowan Calculated Property
Pc 1900.26 kPa Joback Calculated Property
Inp [1619.00; 1619.00]   Show Hide
Inp 1619.00 NIST
Inp 1619.00 NIST
Tboil 566.31 K Relay (1.0) Calculated Property
Tc 737.16 K Relay (1.0) Calculated Property
Tfus 292.91 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [317.63; 687.65] 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 A4.16130e+01
Coefficient B1.17108e+00
Coefficient C-6.09130e-04
Coefficient D8.40900e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 317.63 J/mol×K 273.00 Calculated Property
Cp,gas 383.40 J/mol×K 353.78 Calculated Property
Cp,gas 442.39 J/mol×K 434.56 Calculated Property
Cp,gas 494.85 J/mol×K 515.33 Calculated Property
Cp,gas 541.07 J/mol×K 596.11 Calculated Property
Cp,gas 581.29 J/mol×K 676.89 Calculated Property
Cp,gas 615.80 J/mol×K 757.67 Calculated Property
Cp,gas 644.85 J/mol×K 838.44 Calculated Property
Cp,gas 668.71 J/mol×K 919.22 Calculated Property
Cp,gas 687.65 J/mol×K 1000.00 Calculated Property

Similar Compounds

DL-Alanine, N-methyl-N-(byt-3-yn-1-yloxycarbonyl)-, byt-3-yn-1-yl ester. DL-Alanine, N-methyl-N-(3-chloro-2-methylpropoxycarbonyl)-, propyl ester. DL-Alanine, N-methyl-N-(byt-3-yn-1-yloxycarbonyl)-, butyl ester. DL-Alanine, N-methyl-N-(byt-2-yn-1-yloxycarbonyl)-, propyl ester. DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, 3-chloropropyl ester. DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, propyl ester. DL-Alanine, N-methyl-N-(byt-3-yn-1-yloxycarbonyl)-, pentyl ester. DL-Alanine, N-methyl-N-hexyloxycarbonyl-, isobutyl ester. DL-Alanine, N-methyl-N-(3-chloro-2-methylpropoxycarbonyl)-, butyl ester. DL-Alanine, N-methyl-N-decyloxycarbonyl-, isobutyl ester. DL-Alanine, N-methyl-N-(byt-3-yn-1-yloxycarbonyl)-, hexyl ester. DL-Alanine, N-methyl-N-(byt-3-yn-1-yloxycarbonyl)-, octyl ester. DL-Alanine, N-methyl-N-(byt-3-yn-1-yloxycarbonyl)-, tridecyl ester. DL-Alanine, N-methyl-N-(byt-3-yn-1-yloxycarbonyl)-, dodecyl ester. DL-Alanine, N-methyl-N-(byt-3-yn-1-yloxycarbonyl)-, tetradecyl ester.

Find more compounds similar to DL-Alanine, N-methyl-N-(byt-3-yn-1-yloxycarbonyl)-, isobutyl ester.

Sources

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