Chemical Properties of DL-Alanine, N-methyl-N-(byt-4-en-1-yloxycarbonyl)-, octadecyl ester

DL-Alanine, N-methyl-N-(byt-4-en-1-yloxycarbonyl)-, octadecyl ester

InChI
InChI=1S/C27H51NO4/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-31-26(29)25(3)28(4)27(30)32-23-8-6-2/h6,25H,2,5,7-24H2,1,3-4H3
InChI Key
DEIWRKYKURVHGT-UHFFFAOYSA-N
Formula
C27H51NO4
SMILES
C=CCCOC(=O)N(C)C(C)C(=O)OCCCCCCCCCCCCCCCCCC
Molecular Weight1
453.71
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Physical Properties

Property Value Unit Source
ΔfusH° 72.64 kJ/mol Joback Calculated Property
ΔvapH° 130.66 kJ/mol Relay (1.0) Calculated Property
log10WS -6.81 Relay (1.0) Calculated Property
logPoct/wat 7.824 Crippen Calculated Property
McVol 411.850 ml/mol McGowan Calculated Property
Inp [2981.00; 2981.00]   Show Hide
Inp 2981.00 NIST
Inp 2981.00 NIST
Tboil 679.10 K Relay (1.0) Calculated Property
Tfus 296.16 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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 [616.31; 1438.56] 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 A1.37990e+01
Coefficient B2.56906e+00
Coefficient C-1.39450e-03
Coefficient D2.50200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 616.31 J/mol×K 273.00 Calculated Property
Cp,gas 759.22 J/mol×K 353.78 Calculated Property
Cp,gas 887.39 J/mol×K 434.56 Calculated Property
Cp,gas 1001.63 J/mol×K 515.33 Calculated Property
Cp,gas 1102.71 J/mol×K 596.11 Calculated Property
Cp,gas 1191.43 J/mol×K 676.89 Calculated Property
Cp,gas 1268.59 J/mol×K 757.67 Calculated Property
Cp,gas 1334.97 J/mol×K 838.44 Calculated Property
Cp,gas 1391.36 J/mol×K 919.22 Calculated Property
Cp,gas 1438.56 J/mol×K 1000.00 Calculated Property

Similar Compounds

DL-Alanine, N-methyl-N-(byt-4-en-1-yloxycarbonyl)-, heptadecyl ester. DL-Alanine, N-methyl-N-(byt-4-en-1-yloxycarbonyl)-, hexadecyl ester. DL-Alanine, N-methyl-N-(byt-4-en-1-yloxycarbonyl)-, octyl ester. DL-Alanine, N-methyl-N-(byt-4-en-1-yloxycarbonyl)-, pentadecyl ester. DL-Alanine, N-methyl-N-(byt-4-en-1-yloxycarbonyl)-, undecyl ester. DL-Alanine, N-methyl-N-(byt-4-en-1-yloxycarbonyl)-, tetradecyl ester. DL-Alanine, N-methyl-N-(byt-4-en-1-yloxycarbonyl)-, decyl ester. DL-Alanine, N-methyl-N-(byt-4-en-1-yloxycarbonyl)-, dodecyl ester. DL-Alanine, N-methyl-N-(byt-4-en-1-yloxycarbonyl)-, nonyl ester. DL-Alanine, N-methyl-N-(byt-4-en-1-yloxycarbonyl)-, heptyl ester. DL-Alanine, N-methyl-N-(byt-4-en-1-yloxycarbonyl)-, tridecyl ester. DL-Alanine, N-methyl-N-(byt-4-en-1-yloxycarbonyl)-, hexyl ester. DL-Alanine, N-methyl-N-decyloxycarbonyl-, octyl ester. DL-Alanine, N-methyl-N-decyloxycarbonyl-, undecyl ester. DL-Alanine, N-methyl-N-decyloxycarbonyl-, pentadecyl ester.

Find more compounds similar to DL-Alanine, N-methyl-N-(byt-4-en-1-yloxycarbonyl)-, octadecyl ester.

Sources

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