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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [700.16; 1626.50] 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 A1.58000e+00
Coefficient B2.99460e+00
Coefficient C-1.68100e-03
Coefficient D3.11320e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 700.16 J/mol×K 273.00 Calculated Property
Cp,gas 864.40 J/mol×K 353.78 Calculated Property
Cp,gas 1011.01 J/mol×K 434.56 Calculated Property
Cp,gas 1140.98 J/mol×K 515.33 Calculated Property
Cp,gas 1255.30 J/mol×K 596.11 Calculated Property
Cp,gas 1354.94 J/mol×K 676.89 Calculated Property
Cp,gas 1440.90 J/mol×K 757.67 Calculated Property
Cp,gas 1514.16 J/mol×K 838.44 Calculated Property
Cp,gas 1575.70 J/mol×K 919.22 Calculated Property
Cp,gas 1626.50 J/mol×K 1000.00 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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