Chemical Properties of DL-Alanyl-DL-alanyl-DL-alanine, N,N',N''-trimethyl-N''-(2-ethylhexyloxycarbonyl)-, 2-ethylhexyl ester

DL-Alanyl-DL-alanyl-DL-alanine, N,N',N''-trimethyl-N''-(2-ethylhexyloxycarbonyl)-, 2-ethylhexyl ester

InChI
InChI=1S/C29H55N3O6/c1-11-15-17-24(13-3)19-37-28(35)23(7)31(9)26(33)21(5)30(8)27(34)22(6)32(10)29(36)38-20-25(14-4)18-16-12-2/h21-25H,11-20H2,1-10H3
InChI Key
LNMUCUBIAKPLPK-UHFFFAOYSA-N
Formula
C29H55N3O6
SMILES
CCCCC(CC)COC(=O)C(C)N(C)C(=O)C(C)N(C)C(=O)C(C)N(C)C(=O)OCC(CC)CCCC
Molecular Weight1
541.76
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Physical Properties

Property Value Unit Source
ΔfusH° 74.25 kJ/mol Joback Calculated Property
log10WS -4.72 Relay (1.0) Calculated Property
logPoct/wat 5.113 Crippen Calculated Property
McVol 467.430 ml/mol McGowan Calculated Property
Pc 681.00 kPa Joback Calculated Property
Inp [3230.00; 3230.00]   Show Hide
Inp 3230.00 NIST
Inp 3230.00 NIST
Tboil 672.20 K Relay (1.0) Calculated Property
Tfus 298.13 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1685.23; 1755.15] J/mol×K [1122.42; 1414.37] Show Hide
Cp,gas 1685.23 J/mol×K 1122.42 Joback Calculated Property
Cp,gas 1703.12 J/mol×K 1171.08 Joback Calculated Property
Cp,gas 1718.23 J/mol×K 1219.74 Joback Calculated Property
Cp,gas 1730.77 J/mol×K 1268.40 Joback Calculated Property
Cp,gas 1740.96 J/mol×K 1317.06 Joback Calculated Property
Cp,gas 1749.01 J/mol×K 1365.72 Joback Calculated Property
Cp,gas 1755.15 J/mol×K 1414.37 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to DL-Alanyl-DL-alanyl-DL-alanine, N,N',N''-trimethyl-N''-(2-ethylhexyloxycarbonyl)-, 2-ethylhexyl ester.

Sources

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