Chemical Properties of «beta»-Alanine, N-allyloxycarbonyl-, allyl ester

«beta»-Alanine, N-allyloxycarbonyl-, allyl ester

InChI
InChI=1S/C10H15NO4/c1-3-7-14-9(12)5-6-11-10(13)15-8-4-2/h3-4H,1-2,5-8H2,(H,11,13)
InChI Key
ZLTGULSGHUHBNZ-UHFFFAOYSA-N
Formula
C10H15NO4
SMILES
C=CCOC(=O)CCNC(=O)OCC=C
Molecular Weight1
213.23
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Physical Properties

Property Value Unit Source
ΔfH°gas -670.68 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 32.93 kJ/mol Joback Calculated Property
ΔvapH° 81.48 kJ/mol Relay (1.0) Calculated Property
IE 9.44 eV Relay (1.0) Calculated Property
logPoct/wat 1.018 Crippen Calculated Property
McVol 168.020 ml/mol McGowan Calculated Property
Inp 1542.00 NIST
Tboil 554.16 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 [246.86; 531.32] 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 A3.74240e+01
Coefficient B8.80400e-01
Coefficient C-4.25400e-04
Coefficient D3.89000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 246.86 J/mol×K 273.00 Calculated Property
Cp,gas 297.37 J/mol×K 353.78 Calculated Property
Cp,gas 342.87 J/mol×K 434.56 Calculated Property
Cp,gas 383.47 J/mol×K 515.33 Calculated Property
Cp,gas 419.32 J/mol×K 596.11 Calculated Property
Cp,gas 450.51 J/mol×K 676.89 Calculated Property
Cp,gas 477.19 J/mol×K 757.67 Calculated Property
Cp,gas 499.47 J/mol×K 838.44 Calculated Property
Cp,gas 517.47 J/mol×K 919.22 Calculated Property
Cp,gas 531.32 J/mol×K 1000.00 Calculated Property

Similar Compounds

«beta»-Alanine, N-allyloxycarbonyl-, hexyl ester. .beta.-Alanine, N-allyloxycarbonyl-, undecyl ester. «beta»-Alanine, N-allyloxycarbonyl-, tetradecyl ester. «beta»-Alanine, N-allyloxycarbonyl-, nonyl ester. .beta.-Alanine, N-allyloxycarbonyl-, heptyl ester. «beta»-Alanine, N-hexyloxycarbonyl-, hexyl ester. DL-3-Aminobutanoic acid, N-hexyloxycarbonyl-, nonyl ester. DL-3-Aminobutanoic acid, N-hexyloxycarbonyl-, hexyl ester. DL-3-Aminobutanoic acid, N-hexyloxycarbonyl-, pentyl ester. DL-3-Aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, isobutyl ester. «beta»-Aminoisobutyric acid, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. DL-3-Aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, hexadecyl ester. DL-3-Aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, butyl ester. L-2,3-Diaminopropionic acid, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. L-Aspartic acid, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester.

Find more compounds similar to «beta»-Alanine, N-allyloxycarbonyl-, allyl ester.

Sources

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