Chemical Properties of DL-Valyl-DL-Valine, N,N'-dimethyl-N'-(but-3-yn-1-yloxycarbonyl)-, octyl ester

DL-Valyl-DL-Valine, N,N'-dimethyl-N'-(but-3-yn-1-yloxycarbonyl)-, octyl ester

InChI
InChI=1S/C25H44N2O5/c1-9-11-13-14-15-16-18-31-24(29)22(20(5)6)26(7)23(28)21(19(3)4)27(8)25(30)32-17-12-10-2/h2,19-22H,9,11-18H2,1,3-8H3
InChI Key
LYILOXSDVVJYCH-UHFFFAOYSA-N
Formula
C25H44N2O5
SMILES
C#CCCOC(=O)N(C)C(C(=O)N(C)C(C(=O)OCCCCCCCC)C(C)C)C(C)C
Molecular Weight1
452.63
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Physical Properties

Property Value Unit Source
ΔfusH° 65.77 kJ/mol Joback Calculated Property
log10WS -4.67 Relay (1.0) Calculated Property
logPoct/wat 4.489 Crippen Calculated Property
McVol 390.920 ml/mol McGowan Calculated Property
Inp [2721.00; 2721.00]   Show Hide
Inp 2721.00 NIST
Inp 2721.00 NIST
Tboil 663.44 K Relay (1.0) Calculated Property
Tfus 327.70 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 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 [588.00; 1334.87] 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 A2.40090e+01
Coefficient B2.41884e+00
Coefficient C-1.36223e-03
Coefficient D2.54250e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 588.00 J/mol×K 273.00 Calculated Property
Cp,gas 720.50 J/mol×K 353.78 Calculated Property
Cp,gas 838.75 J/mol×K 434.56 Calculated Property
Cp,gas 943.55 J/mol×K 515.33 Calculated Property
Cp,gas 1035.70 J/mol×K 596.11 Calculated Property
Cp,gas 1116.00 J/mol×K 676.89 Calculated Property
Cp,gas 1185.27 J/mol×K 757.67 Calculated Property
Cp,gas 1244.30 J/mol×K 838.44 Calculated Property
Cp,gas 1293.90 J/mol×K 919.22 Calculated Property
Cp,gas 1334.87 J/mol×K 1000.00 Calculated Property

Similar Compounds

DL-Valyl-DL-Valine, N,N'-dimethyl-N'-(but-3-yn-1-yloxycarbonyl)-, hexyl ester. DL-Valyl-DL-Valine, N,N'-dimethyl-N'-(but-3-yn-1-yloxycarbonyl)-, pentyl ester. DL-Valyl-DL-Valine, N,N'-dimethyl-N'-(but-3-yn-1-yloxycarbonyl)-, nonyl ester. DL-Valyl-DL-Valine, N,N'-dimethyl-N'-(but-3-yn-1-yloxycarbonyl)-, heptyl ester. DL-Valyl-DL-valine, N-methyl-N-octyloxycarbonyl-, octyl ester. DL-Valyl-DL-valine, N-methyl-N-hexyloxycarbonyl-, hexyl ester. DL-Valyl-DL-Valine, N,N'-dimethyl-N'-(but-3-yn-1-yloxycarbonyl)-, butyl ester. DL-Valyl-DL-Valine, N,N'-dimethyl-N'-(3-chloropropoxycarbonyl)-, octyl ester. DL-Valyl-DL-Valine, N,N'-dimethyl-N'-(3-chloropropoxycarbonyl)-, pentyl ester. DL-Valyl-DL-Valine, N,N'-dimethyl-N'-(3-chloropropoxycarbonyl)-, butyl ester. DL-Valyl-DL-Valine, N,N'-dimethyl-N'-vinyloxycarbonyl-, octyl ester. DL-Valyl-DL-valine, N-methyl-N-(but-3-en-1-yloxycarbonyl)-, but-3-en-1-yl ester. DL-Valyl-DL-Valine, N,N'-dimethyl-N'-vinyloxycarbonyl-, hexyl ester. DL-Valyl-DL-Valine, N,N'-dimethyl-N'-vinyloxycarbonyl-, pentyl ester. DL-Valyl-DL-Valine, N,N'-dimethyl-N'-(but-3-yn-1-yloxycarbonyl)-, but-3-yn-1-yl ester.

Find more compounds similar to DL-Valyl-DL-Valine, N,N'-dimethyl-N'-(but-3-yn-1-yloxycarbonyl)-, octyl ester.

Sources

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