Chemical Properties of DL-3-Aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, dodecyl ester

DL-3-Aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, dodecyl ester

InChI
InChI=1S/C25H49NO4/c1-5-8-10-11-12-13-14-15-16-17-19-29-24(27)20-22(4)26-25(28)30-21-23(7-3)18-9-6-2/h22-23H,5-21H2,1-4H3,(H,26,28)
InChI Key
VFISRKBZQRXFBV-UHFFFAOYSA-N
Formula
C25H49NO4
SMILES
CCCCCCCCCCCCOC(=O)CC(C)N=C(O)OCC(CC)CCCC
Molecular Weight1
427.66
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Physical Properties

Property Value Unit Source
Δfgas -1206.35 kJ/mol Relay (1.0) Calculated Property
Δvap 135.63 kJ/mol Relay (1.0) Calculated Property
log10WS -6.24 Relay (1.0) Calculated Property
logPoct/wat 7.376 Crippen Calculated Property
McVol 387.970 ml/mol McGowan Calculated Property
Pc 779.81 kPa Joback Calculated Property
Inp [2877.00; 2877.00]   Show Hide
Inp 2877.00 NIST
Inp 2877.00 NIST
Tboil 643.43 K Relay (1.0) Calculated Property
Tfus 294.66 K Relay (1.0) Calculated Property

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Similar Compounds

DL-3-Aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, undecyl ester. DL-3-Aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, tetradecyl ester. DL-3-Aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, tridecyl ester. DL-3-Aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, nonyl ester. DL-3-Aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, pentadecyl ester. DL-3-Aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, decyl ester. DL-3-Aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, hexyl ester. DL-3-Aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, pentyl ester. DL-3-Aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, heptyl ester. DL-3-Aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, 2-ethylhexyl ester. DL-3-Aminobutanoic acid, N-hexyloxycarbonyl-, undecyl ester. DL-3-Aminobutanoic acid, N-hexyloxycarbonyl-, decyl ester. DL-3-Aminobutanoic acid, N-hexyloxycarbonyl-, dodecyl ester. DL-3-Aminobutanoic acid, N-hexyloxycarbonyl-, tetradecyl ester. DL-3-Aminobutanoic acid, N-hexyloxycarbonyl-, heptyl ester.

Find more compounds similar to DL-3-Aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, dodecyl ester.

Sources

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