Chemical Properties of DL-Alanyl-DL-alanyl-DL-alanine, N,N',N''-trimethyl-N'''-hexyloxycarbonyl-, hexyl ester

DL-Alanyl-DL-alanyl-DL-alanine, N,N',N''-trimethyl-N'''-hexyloxycarbonyl-, hexyl ester

InChI
InChI=1S/C25H47N3O6/c1-9-11-13-15-17-33-24(31)21(5)27(7)22(29)19(3)26(6)23(30)20(4)28(8)25(32)34-18-16-14-12-10-2/h19-21H,9-18H2,1-8H3
InChI Key
MXWYSIJQYICTQA-UHFFFAOYSA-N
Formula
C25H47N3O6
SMILES
CCCCCCOC(=O)C(C)N(C)C(=O)C(C)N(C)C(=O)C(C)N(C)C(=O)OCCCCCC
Molecular Weight1
485.67
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Physical Properties

Property Value Unit Source
ΔfH°gas -1353.00 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 70.94 kJ/mol Joback Calculated Property
ΔvapH° 117.22 kJ/mol Relay (1.0) Calculated Property
log10WS -3.66 Relay (1.0) Calculated Property
logPoct/wat 3.841 Crippen Calculated Property
McVol 411.070 ml/mol McGowan Calculated Property
Pc 833.38 kPa Joback Calculated Property
Inp [3009.00; 3009.00]   Show Hide
Inp 3009.00 NIST
Inp 3009.00 NIST
Tboil 642.85 K Relay (1.0) Calculated Property
Tc 882.25 K Relay (1.0) Calculated Property
Tfus 325.34 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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 [615.93; 1419.06] 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 A8.58000e+00
Coefficient B2.60276e+00
Coefficient C-1.45700e-03
Coefficient D2.64720e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 615.93 J/mol×K 273.00 Calculated Property
Cp,gas 758.74 J/mol×K 353.78 Calculated Property
Cp,gas 886.21 J/mol×K 434.56 Calculated Property
Cp,gas 999.16 J/mol×K 515.33 Calculated Property
Cp,gas 1098.45 J/mol×K 596.11 Calculated Property
Cp,gas 1184.89 J/mol×K 676.89 Calculated Property
Cp,gas 1259.34 J/mol×K 757.67 Calculated Property
Cp,gas 1322.63 J/mol×K 838.44 Calculated Property
Cp,gas 1375.59 J/mol×K 919.22 Calculated Property
Cp,gas 1419.06 J/mol×K 1000.00 Calculated Property

Similar Compounds

DL-Alanyl-DL-alanyl-DL-alanine, N,N',N''-trimethyl-N''-octyloxycarbonyl-, octyl ester. DL-Alanyl-DL-alanine, N,N'-dimethyl-N'-hexyloxycarbonyl-, hexyl ester. DL-Alanyl-DL-alanine, N,N'-dimethyl-N'-octyloxycarbonyl-, octyl ester. DL-Alanyl-DL-alanine, N,N'-dimethyl-N'-(byt-4-en-1-yloxycarbonyl)-, hexyl ester. DL-Alanyl-DL-alanine, N,N'-dimethyl-N'-(3-chloropropoxycarbonyl)-, heptyl ester. DL-Alanyl-DL-alanine, N,N'-dimethyl-N'-(3-chloropropoxycarbonyl)-, nonyl ester. DL-Alanyl-DL-alanine, N,N'-dimethyl-N'-(3-chloropropoxycarbonyl)-, octyl ester. DL-Alanyl-DL-alanine, N,N'-dimethyl-N'-(byt-4-en-1-yloxycarbonyl)-, tetradecyl ester. DL-Alanyl-DL-alanine, N,N'-dimethyl-N'-(byt-4-en-1-yloxycarbonyl)-, heptyl ester. DL-Alanyl-DL-alanine, N,N'-dimethyl-N'-(byt-4-en-1-yloxycarbonyl)-, octyl ester. DL-Alanyl-DL-alanine, N,N'-dimethyl-N'-(byt-4-en-1-yloxycarbonyl)-, pentyl ester. DL-Alanyl-DL-alanyl-DL-alanine, N,N',N''-trimethyl-N''-(2-ethylhexyloxycarbonyl)-, 2-ethylhexyl ester. DL-Alanyl-DL-alanine, N,N'-dimethyl-N'-(2-ethylhexyloxycarbonyl)-, 2-ethylhexyl ester. DL-Alanyl-DL-alanine, N,N'-dimethyl-N'-(byt-4-en-1-yloxycarbonyl)-, byt-4-en-1-yl ester. DL-Valyl-DL-valine, N-methyl-N-hexyloxycarbonyl-, hexyl ester.

Find more compounds similar to DL-Alanyl-DL-alanyl-DL-alanine, N,N',N''-trimethyl-N'''-hexyloxycarbonyl-, hexyl ester.

Sources

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