Chemical Properties of Fumaric acid, ethyl 3-nitrophenyl ester

Fumaric acid, ethyl 3-nitrophenyl ester

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

InChI
InChI=1S/C12H11NO6/c1-2-18-11(14)6-7-12(15)19-10-5-3-4-9(8-10)13(16)17/h3-8H,2H2,1H3/b7-6+
InChI Key
FLMSXPCTJTUQGF-VOTSOKGWSA-N
Formula
C12H11NO6
SMILES
CCOC(=O)C=CC(=O)Oc1cccc([N+](=O)[O-])c1
Molecular Weight1
265.22
Sources

Physical Properties

Property Value Unit Source
Δf -199.13 kJ/mol Joback Calculated Property
Δfgas -449.09 kJ/mol Joback Calculated Property
Δfus 37.62 kJ/mol Joback Calculated Property
Δvap 80.11 kJ/mol Joback Calculated Property
logPoct/wat 1.62 Crippen Calculated Property
Pc 2775.92 kPa Joback Calculated Property
Tboil 814.20 K Joback Calculated Property
Tc 1053.13 K Joback Calculated Property
Tfus 546.79 K Joback Calculated Property
Vc 0.71 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 506.62 J/mol×K 814.2 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Fumaric acid, 3-nitrophenyl propyl ester. Fumaric acid, isobutyl 3-nitrophenyl ester. Fumaric acid, 3-nitrophenyl pentyl ester. Fumaric acid, hexyl 3-nitrophenyl ester. Acetic acid, 3-nitrophenyl ester. Fumaric acid, 4-nitrophenyl 2-ethylhexyl ester. Glutaric acid, ethyl 3-nitrophenyl ester. Pimelic acid, ethyl 3-nitrophenyl ester. Sebacic acid, ethyl 3-nitrophenyl ester. Glutaric acid, 3-nitrophenyl propyl ester. Sebacic acid, 3-nitrophenyl propyl ester. Glutaric acid, butyl 3-nitrophenyl ester. Glutaric acid, 3-nitrophenyl pentyl ester. Sebacic acid, 3-nitrophenyl nonyl ester. Sebacic acid, heptyl 3-nitrophenyl ester.

Find more compounds similar to Fumaric acid, ethyl 3-nitrophenyl 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.