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

DL-Alanyl-DL-alanine, N,N'-dimethyl-N'-hexyloxycarbonyl-, hexyl ester

InChI
InChI=1S/C21H40N2O5/c1-7-9-11-13-15-27-20(25)18(4)22(5)19(24)17(3)23(6)21(26)28-16-14-12-10-8-2/h17-18H,7-16H2,1-6H3
InChI Key
RUIXDRIGPPUQHE-UHFFFAOYSA-N
Formula
C21H40N2O5
SMILES
CCCCCCOC(=O)C(C)N(C)C(=O)C(C)N(C)C(=O)OCCCCCC
Molecular Weight1
400.55
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Physical Properties

Property Value Unit Source
ΔfH°gas -1163.51 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 59.48 kJ/mol Joback Calculated Property
ΔvapH° 105.69 kJ/mol Relay (1.0) Calculated Property
log10WS -3.64 Relay (1.0) Calculated Property
logPoct/wat 3.994 Crippen Calculated Property
McVol 343.160 ml/mol McGowan Calculated Property
Pc 1008.45 kPa Joback Calculated Property
Inp [2505.00; 2505.00]   Show Hide
Inp 2505.00 NIST
Inp 2505.00 NIST
Tboil 615.00 K Relay (1.0) Calculated Property
Tc 831.20 K Relay (1.0) Calculated Property
Tfus 302.90 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 [514.96; 1185.11] 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 A1.72300e+01
Coefficient B2.12092e+00
Coefficient C-1.14230e-03
Coefficient D1.89260e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 514.96 J/mol×K 273.00 Calculated Property
Cp,gas 632.98 J/mol×K 353.78 Calculated Property
Cp,gas 738.71 J/mol×K 434.56 Calculated Property
Cp,gas 832.75 J/mol×K 515.33 Calculated Property
Cp,gas 915.71 J/mol×K 596.11 Calculated Property
Cp,gas 988.18 J/mol×K 676.89 Calculated Property
Cp,gas 1050.75 J/mol×K 757.67 Calculated Property
Cp,gas 1104.03 J/mol×K 838.44 Calculated Property
Cp,gas 1148.62 J/mol×K 919.22 Calculated Property
Cp,gas 1185.11 J/mol×K 1000.00 Calculated Property

Similar Compounds

DL-Alanyl-DL-alanine, N,N'-dimethyl-N'-octyloxycarbonyl-, octyl ester. 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''-octyloxycarbonyl-, octyl 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)-, hexyl ester. DL-Alanyl-DL-alanine, N,N'-dimethyl-N'-(3-chloropropoxycarbonyl)-, heptyl 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)-, 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)-, pentyl ester. DL-Alanyl-DL-alanine, N,N'-dimethyl-N'-(2-ethylhexyloxycarbonyl)-, 2-ethylhexyl 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'-(byt-4-en-1-yloxycarbonyl)-, byt-4-en-1-yl ester. DL-Alanyl-DL-alanine, N,N'-methyl-N'-((1R)-(-)-menthyloxycarbonyl)-, (1R)-(-)-menthyl ester.

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

Sources

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