Chemical Properties of L-Valine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester

L-Valine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester

InChI
InChI=1S/C13H25NO4/c1-7-17-13(16)14-11(9(4)5)12(15)18-10(6)8(2)3/h8-11H,7H2,1-6H3,(H,14,16)/t10-,11?/m0/s1
InChI Key
ZYEHEHZLKTWBIM-VUWPPUDQSA-N
Formula
C13H25NO4
SMILES
CCOC(=O)NC(C(=O)OC(C)C(C)C)C(C)C
Molecular Weight1
259.34
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Physical Properties

Property Value Unit Source
ΔfusH° 29.17 kJ/mol Joback Calculated Property
logPoct/wat 2.345 Crippen Calculated Property
McVol 218.890 ml/mol McGowan Calculated Property
Inp [1584.80; 1584.80]   Show Hide
Inp 1584.80 NIST
Inp 1584.80 NIST
Tboil 530.40 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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 [328.86; 745.27] 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 A3.39510e+01
Coefficient B1.22912e+00
Coefficient C-5.55600e-04
Coefficient D3.78000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 328.86 J/mol×K 273.00 Calculated Property
Cp,gas 400.92 J/mol×K 353.78 Calculated Property
Cp,gas 466.26 J/mol×K 434.56 Calculated Property
Cp,gas 524.98 J/mol×K 515.33 Calculated Property
Cp,gas 577.22 J/mol×K 596.11 Calculated Property
Cp,gas 623.09 J/mol×K 676.89 Calculated Property
Cp,gas 662.71 J/mol×K 757.67 Calculated Property
Cp,gas 696.20 J/mol×K 838.44 Calculated Property
Cp,gas 723.68 J/mol×K 919.22 Calculated Property
Cp,gas 745.27 J/mol×K 1000.00 Calculated Property

Similar Compounds

D-Valine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. L-«alpha»-Aminobutyric acid, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. D-«alpha»-Aminobutyric acid, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. D-Isoleucine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. D-allo-Isoleucine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. D-Norvaline, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. L-Glutamic acid, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. D-Glutamic acid, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. L-Norleucine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. D-Norleucine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. D-Lysine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. L-Lysine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. L-«alpha»-Aminoadipic acid, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. D-«alpha»-Aminoadipic acid, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. D-Leucine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester.

Find more compounds similar to L-Valine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester.

Sources

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