Chemical Properties of Sebacic acid, isobutyl 3-nitro-4-fluorobenzyl ester

Sebacic acid, isobutyl 3-nitro-4-fluorobenzyl ester

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InChI
InChI=1S/C21H30FNO6/c1-16(2)14-28-20(24)9-7-5-3-4-6-8-10-21(25)29-15-17-11-12-18(22)19(13-17)23(26)27/h11-13,16H,3-10,14-15H2,1-2H3
InChI Key
RYVWFJDYXZDBJH-UHFFFAOYSA-N
Formula
C21H30FNO6
SMILES
CC(C)COC(=O)CCCCCCCCC(=O)OCc1ccc(F)c([N+](=O)[O-])c1
Molecular Weight1
411.46
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Physical Properties

Property Value Unit Source
Δf -410.45 kJ/mol Joback Calculated Property
Δfgas -964.93 kJ/mol Joback Calculated Property
Δfus 59.90 kJ/mol Joback Calculated Property
Δvap 99.64 kJ/mol Joback Calculated Property
log10WS -6.68 Crippen Calculated Property
logPoct/wat 5.097 Crippen Calculated Property
McVol 317.060 ml/mol McGowan Calculated Property
Pc 1217.44 kPa Joback Calculated Property
Inp [2935.00; 2935.00]   Show Hide
Inp 2935.00 NIST
Inp 2935.00 NIST
Tboil 1019.77 K Joback Calculated Property
Tc 1248.93 K Joback Calculated Property
Tfus 651.41 K Joback Calculated Property
Vc 1.246 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1053.96; 1106.61] J/mol×K [1019.77; 1248.93] Show Hide
Cp,gas 1053.96 J/mol×K 1019.77 Joback Calculated Property
Cp,gas 1066.26 J/mol×K 1057.96 Joback Calculated Property
Cp,gas 1077.10 J/mol×K 1096.16 Joback Calculated Property
Cp,gas 1086.51 J/mol×K 1134.35 Joback Calculated Property
Cp,gas 1094.55 J/mol×K 1172.54 Joback Calculated Property
Cp,gas 1101.23 J/mol×K 1210.73 Joback Calculated Property
Cp,gas 1106.61 J/mol×K 1248.93 Joback Calculated Property

Similar Compounds

Sebacic acid, 3-nitro-4-fluorobenzyl propyl ester. Sebacic acid, hexyl 3-nitro-4-fluorobenzyl ester. Sebacic acid, heptyl 3-nitro-4-fluorobenzyl ester. Sebacic acid, 3-nitro-4-fluorobenzyl pentyl ester. Sebacic acid, butyl 3-nitro-4-fluorobenzyl ester. Succinic acid, 4-fluoro-3-nitrobenzyl isobutyl ester. Succinic acid, 4-fluoro-3-nitrobenzyl hexyl ester. Sebacic acid, ethyl 3-nitro-4-fluorobenzyl ester. Succinic acid, 4-fluoro-3-nitrobenzyl pentyl ester. Succinic acid, butyl 4-fluoro-3-nitrobenzyl ester. Succinic acid, 4-fluoro-3-nitrobenzyl 2-methylhex-3-yl ester. Sebacic acid, isobutyl 3-nitro-4-chlorobenzyl ester. Sebacic acid, isobutyl 4-methyl-3-nitrobenzyl ester. Glutaric acid, cyclohexylmethyl 3-nitrobenzyl ester. Glutaric acid, 2-ethylhexyl 3-nitrobenzyl ester.

Find more compounds similar to Sebacic acid, isobutyl 3-nitro-4-fluorobenzyl ester.

Sources

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