Chemical Properties of D-Alanine, N-neopentyloxycarbonyl-, isobutyl ester

D-Alanine, N-neopentyloxycarbonyl-, isobutyl ester

InChI
InChI=1S/C13H25NO4/c1-9(2)7-17-11(15)10(3)14-12(16)18-8-13(4,5)6/h9-10H,7-8H2,1-6H3,(H,14,16)
InChI Key
KPIPBWFYJRHDQT-UHFFFAOYSA-N
Formula
C13H25NO4
SMILES
CC(C)COC(=O)C(C)NC(=O)OCC(C)(C)C
Molecular Weight1
259.34
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Physical Properties

Property Value Unit Source
ΔfH°gas -986.97 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 28.80 kJ/mol Joback Calculated Property
ΔvapH° 77.65 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 2.346 Crippen Calculated Property
McVol 218.890 ml/mol McGowan Calculated Property
Pc 1724.59 kPa Joback Calculated Property
Inp [1597.00; 1597.00]   Show Hide
Inp 1597.00 NIST
Inp 1597.00 NIST
Tboil 536.48 K Relay (1.0) Calculated Property
Tc 728.04 K Relay (1.0) Calculated Property
Tfus 320.48 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [616.81; 700.42] J/mol×K [659.54; 846.84] Show Hide
Cp,gas 616.81 J/mol×K 659.54 Joback Calculated Property
Cp,gas 633.08 J/mol×K 690.76 Joback Calculated Property
Cp,gas 648.38 J/mol×K 721.97 Joback Calculated Property
Cp,gas 662.75 J/mol×K 753.19 Joback Calculated Property
Cp,gas 676.20 J/mol×K 784.41 Joback Calculated Property
Cp,gas 688.75 J/mol×K 815.63 Joback Calculated Property
Cp,gas 700.42 J/mol×K 846.84 Joback Calculated Property

Similar Compounds

D-Alanine, N-neopentyloxycarbonyl-, neopentyl ester. D-Alanine, N-neopentyloxycarbonyl-, octyl ester. D-Alanine, N-neopentyloxycarbonyl-, dodecyl ester. D-Alanine, N-neopentyloxycarbonyl-, hexyl ester. D-Alanine, N-neopentyloxycarbonyl-, tridecyl ester. D-Alanine, N-neopentyloxycarbonyl-, heptadecyl ester. D-Alanine, N-neopentyloxycarbonyl-, decyl ester. D-alanine, n-neopentyloxycarbonyl-, tetradecyl ester. D-Alanine, N-neopentyloxycarbonyl-, octadecyl ester. D-Alanine, N-neopentyloxycarbonyl-, undecyl ester. D-Alanine, N-neopentyloxycarbonyl-, heptyl ester. D-Alanine, N-neopentyloxycarbonyl-, hexadecyl ester. D-Alanine, N-neopentyloxycarbonyl-, isohexyl ester. L-Alanine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. D-Alanine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester.

Find more compounds similar to D-Alanine, N-neopentyloxycarbonyl-, isobutyl ester.

Sources

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