Chemical Properties of DL-3-Aminobutanoyl-DL-aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, 2-ethylhexyl ester

DL-3-Aminobutanoyl-DL-aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, 2-ethylhexyl ester

InChI
InChI=1S/C25H48N2O5/c1-7-11-13-21(9-3)17-31-24(29)16-20(6)26-23(28)15-19(5)27-25(30)32-18-22(10-4)14-12-8-2/h19-22H,7-18H2,1-6H3,(H,26,28)(H,27,30)
InChI Key
BMWJKTVNOCIULN-UHFFFAOYSA-N
Formula
C25H48N2O5
SMILES
CCCCC(CC)COC(=O)CC(C)NC(=O)CC(C)NC(=O)OCC(CC)CCCC
Molecular Weight1
456.66
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Physical Properties

Property Value Unit Source
ΔfusH° 66.95 kJ/mol Joback Calculated Property
log10WS -5.10 Relay (1.0) Calculated Property
logPoct/wat 5.362 Crippen Calculated Property
McVol 399.520 ml/mol McGowan Calculated Property
Pc 822.42 kPa Joback Calculated Property
Inp [3121.00; 3121.00]   Show Hide
Inp 3121.00 NIST
Inp 3121.00 NIST
Tboil 639.69 K Relay (1.0) Calculated Property
Tfus 283.24 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 [600.54; 1390.27] 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 A2.91920e+01
Coefficient B2.41732e+00
Coefficient C-1.23830e-03
Coefficient D1.82060e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 600.54 J/mol×K 273.00 Calculated Property
Cp,gas 737.46 J/mol×K 353.78 Calculated Property
Cp,gas 860.75 J/mol×K 434.56 Calculated Property
Cp,gas 970.98 J/mol×K 515.33 Calculated Property
Cp,gas 1068.72 J/mol×K 596.11 Calculated Property
Cp,gas 1154.55 J/mol×K 676.89 Calculated Property
Cp,gas 1229.04 J/mol×K 757.67 Calculated Property
Cp,gas 1292.78 J/mol×K 838.44 Calculated Property
Cp,gas 1346.33 J/mol×K 919.22 Calculated Property
Cp,gas 1390.27 J/mol×K 1000.00 Calculated Property

Similar Compounds

DL-3-Aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, isobutyl ester. Leu-Trp, N-trimethylsilyl-, trimethylsilyl ester. Zinc octaethylporphyrin chloride. Nalmefene, bis(trifluoroacetate). Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (19«alpha»)-. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. (1'S,3R,4a'S,5a'S,10a'S)-Methyl 1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate. 3'-Deoxyguanosine, tris(trimethylsilyl) deriv.. mexazolam. Cilostazol. Moexipril desethyl - H2O Me (Moexprilate - H2O Me). .delta.1-tetrahydrocannabinolic acid, phenyl-boronate. DL-3-Aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, hexadecyl ester. DL-3-Aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, butyl ester. Galantamin.

Find more compounds similar to DL-3-Aminobutanoyl-DL-aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, 2-ethylhexyl ester.

Sources

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