Chemical Properties of Glutaric acid, isobutyl 4-nitrophenyl ester

Glutaric acid, isobutyl 4-nitrophenyl ester

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InChI
InChI=1S/C15H19NO6/c1-11(2)10-21-14(17)4-3-5-15(18)22-13-8-6-12(7-9-13)16(19)20/h6-9,11H,3-5,10H2,1-2H3
InChI Key
BPLOAZSQFQLZDW-UHFFFAOYSA-N
Formula
C15H19NO6
SMILES
CC(C)COC(=O)CCCC(=O)Oc1ccc([N+](=O)[O-])cc1
Molecular Weight1
309.31
Sources

Physical Properties

Property Value Unit Source
Δf -256.53 kJ/mol Joback Calculated Property
Δfgas -633.51 kJ/mol Joback Calculated Property
Δfus 41.67 kJ/mol Joback Calculated Property
Δvap 86.44 kJ/mol Joback Calculated Property
logPoct/wat 2.87 Crippen Calculated Property
Pc 2010.90 kPa Joback Calculated Property
Tboil 878.24 K Joback Calculated Property
Tc 1104.68 K Joback Calculated Property
Tfus 570.68 K Joback Calculated Property
Vc 0.89 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 698.81 J/mol×K 878.24 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 4
-NO2 1
=C< (ring) 2
-CH2- 4
-CH3 2

Similar Compounds

Glutaric acid, 4-nitrophenyl propyl ester. Glutaric acid, butyl 4-nitrophenyl ester. Glutaric acid, 4-nitrophenyl pentyl ester. Glutaric acid, ethyl 4-nitrophenyl ester. Glutaric acid, hexyl 4-nitrophenyl ester. Glutaric acid, isohexyl 4-nitrophenyl ester. Glutaric acid, dodecyl 4-nitrophenyl ester. Glutaric acid, 4-nitrophenyl undecyl ester. Glutaric acid, 4-nitrophenyl nonyl ester. Glutaric acid, 4-nitrophenyl tridecyl ester. Glutaric acid, decyl 4-nitrophenyl ester. Glutaric acid, 4-nitrophenyl octyl ester. Glutaric acid, heptyl 4-nitrophenyl ester. Glutaric acid, 2-ethylhexyl 4-nitrophenyl ester. Glutaric acid, cyclohexylmethyl 4-nitrophenyl ester.

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