Chemical Properties of Diethylmalonic acid, 4-nitrophenyl octyl ester

Diethylmalonic acid, 4-nitrophenyl octyl ester

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InChI
InChI=1S/C21H31NO6/c1-4-7-8-9-10-11-16-27-19(23)21(5-2,6-3)20(24)28-18-14-12-17(13-15-18)22(25)26/h12-15H,4-11,16H2,1-3H3
InChI Key
XAXZXKIKPRBIDK-UHFFFAOYSA-N
Formula
C21H31NO6
SMILES
CCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccc([N+](=O)[O-])cc1
Molecular Weight1
393.47
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Physical Properties

Property Value Unit Source
Δf -200.73 kJ/mol Joback Calculated Property
Δfgas -760.82 kJ/mol Joback Calculated Property
Δfus 53.32 kJ/mol Joback Calculated Property
Δvap 98.88 kJ/mol Joback Calculated Property
log10WS -6.50 Crippen Calculated Property
logPoct/wat 5.210 Crippen Calculated Property
McVol 315.290 ml/mol McGowan Calculated Property
Pc 1280.08 kPa Joback Calculated Property
Inp 2653.00 NIST
Tboil 1012.73 K Joback Calculated Property
Tc 1243.48 K Joback Calculated Property
Tfus 655.72 K Joback Calculated Property
Vc 1.222 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1048.49; 1108.49] J/mol×K [1012.73; 1243.48] Show Hide
Cp,gas 1048.49 J/mol×K 1012.73 Joback Calculated Property
Cp,gas 1061.46 J/mol×K 1051.19 Joback Calculated Property
Cp,gas 1073.15 J/mol×K 1089.65 Joback Calculated Property
Cp,gas 1083.62 J/mol×K 1128.10 Joback Calculated Property
Cp,gas 1092.96 J/mol×K 1166.56 Joback Calculated Property
Cp,gas 1101.22 J/mol×K 1205.02 Joback Calculated Property
Cp,gas 1108.49 J/mol×K 1243.48 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, 4-nitrophenyl nonyl ester. Diethylmalonic acid, heptyl 4-nitrophenyl ester. Diethylmalonic acid, decyl 4-nitrophenyl ester. Diethylmalonic acid, hexyl 4-nitrophenyl ester. Diethylmalonic acid, 4-nitrophenyl pentyl ester. Diethylmalonic acid, butyl 4-nitrophenyl ester. Diethylmalonic acid, 4-nitrophenyl propyl ester. Diethylmalonic acid, 3-nitrophenyl pentyl ester. Diethylmalonic acid, butyl 3-nitrophenyl ester. Diethylmalonic acid, isobutyl 4-nitrophenyl ester. Diethylmalonic acid, 2-nitrophenyl octyl ester. Diethylmalonic acid, heptyl 2-nitrophenyl ester. Diethylmalonic acid, hexyl 2-nitrophenyl ester. Diethylmalonic acid, 2-nitrophenyl pentyl ester. Diethylmalonic acid, 2-methylhex-3-yl 4-nitrophenyl ester.

Find more compounds similar to Diethylmalonic acid, 4-nitrophenyl octyl ester.

Sources

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