Chemical Properties of Fumaric acid, 4-nitrophenyl 2-ethylhexyl ester

Fumaric acid, 4-nitrophenyl 2-ethylhexyl ester

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C18H23NO6/c1-3-5-6-14(4-2)13-24-17(20)11-12-18(21)25-16-9-7-15(8-10-16)19(22)23/h7-12,14H,3-6,13H2,1-2H3/b12-11+
InChI Key
BMLXTMDUNGKRKL-VAWYXSNFSA-N
Formula
C18H23NO6
SMILES
CCCCC(CC)COC(=O)C=CC(=O)Oc1ccc([N+](=O)[O-])cc1
Molecular Weight1
349.38
Sources

Physical Properties

Property Value Unit Source
Δf -151.05 kJ/mol Joback Calculated Property
Δfgas -578.21 kJ/mol Joback Calculated Property
Δfus 49.64 kJ/mol Joback Calculated Property
Δvap 93.07 kJ/mol Joback Calculated Property
logPoct/wat 3.82 Crippen Calculated Property
Pc 1644.42 kPa Joback Calculated Property
Tboil 951.04 K Joback Calculated Property
Tc 1179.63 K Joback Calculated Property
Tfus 599.41 K Joback Calculated Property
Vc 1.04 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 842.21 J/mol×K 951.04 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-CH3 2
=CH- (ring) 4
-NO2 1
=C< (ring) 2
-CH2- 5
=CH- 2
>C=O (nonring) 2

Similar Compounds

Fumaric acid, 4-methoxyphenyl 2-ethylhexyl ester. Fumaric acid, hexyl 3-nitrophenyl ester. Fumaric acid, 3-nitrophenyl pentyl ester. Fumaric acid, isobutyl 3-nitrophenyl ester. Fumaric acid, di(4-nitrophenyl) ester. Fumaric acid, naphth-2-yl 2-ethylhexyl ester. Fumaric acid, 4-bromophenyl 2-ethylhexyl ester. Fumaric acid, 4-bromophenyl cyclohexylmethyl ester. Fumaric acid, 2-nitrophenyl 2-ethylhexyl ester. Fumaric acid, 3-nitrophenyl propyl ester. Glutaric acid, 2-ethylhexyl 4-nitrophenyl ester. Glutaric acid, cyclohexylmethyl 4-nitrophenyl ester. Fumaric acid, 3,5-dimethylphenyl 2-ethylhexyl ester. Fumaric acid, 3,5-dimethylphenyl cyclohexylmethyl ester. Fumaric acid, naphth-1-yl 2-ethylhexyl ester.

Find more compounds similar to Fumaric acid, 4-nitrophenyl 2-ethylhexyl ester.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.