Chemical Properties of Fumaric acid, 4-nitrophenyl hept-2-yl ester

Fumaric acid, 4-nitrophenyl hept-2-yl ester

InChI
InChI=1S/C17H21NO6/c1-3-4-5-6-13(2)23-16(19)11-12-17(20)24-15-9-7-14(8-10-15)18(21)22/h7-13H,3-6H2,1-2H3/b12-11+
InChI Key
HKERSMWRFJNVPW-VAWYXSNFSA-N
Formula
C17H21NO6
SMILES
CCCCCC(C)OC(=O)C=CC(=O)Oc1ccc([N+](=O)[O-])cc1
Molecular Weight1
335.35
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 50.22 kJ/mol Joback Calculated Property
IE 9.47 eV Relay (1.0) Calculated Property
logPoct/wat 3.568 Crippen Calculated Property
McVol 254.630 ml/mol McGowan Calculated Property
Inp [2530.00; 2530.00]   Show Hide
Inp 2530.00 NIST
Inp 2530.00 NIST
Tboil 617.26 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [775.77; 830.68] J/mol×K [892.22; 1117.33] Show Hide
Cp,gas 775.77 J/mol×K 892.22 Joback Calculated Property
Cp,gas 787.86 J/mol×K 929.74 Joback Calculated Property
Cp,gas 798.72 J/mol×K 967.26 Joback Calculated Property
Cp,gas 808.38 J/mol×K 1004.78 Joback Calculated Property
Cp,gas 816.90 J/mol×K 1042.29 Joback Calculated Property
Cp,gas 824.32 J/mol×K 1079.81 Joback Calculated Property
Cp,gas 830.68 J/mol×K 1117.33 Joback Calculated Property

Similar Compounds

Fumaric acid, 2-nitrophenyl hept-2-yl ester. Fumaric acid, 2-nitrophenyl dec-2-yl ester. Fumaric acid, 4-nitrophenyl 2-ethylhexyl ester. Glutaric acid, dec-2-yl 4-nitrophenyl ester. Glutaric acid, hept-2-yl 4-nitrophenyl ester. Fumaric acid, 4-methoxyphenyl hept-2-yl ester. Fumaric acid, naphth-2-yl hept-2-yl ester. Fumaric acid, naphth-2-yl dec-2-yl ester. Fumaric acid, 4-bromophenyl hept-2-yl ester. Fumaric acid, hexyl 3-nitrophenyl ester. Fumaric acid, 2-octyl 2-fluorophenyl ester. Fumaric acid, naphth-1-yl dec-2-yl ester. Fumaric acid, naphth-1-yl hept-2-yl ester. Fumaric acid, 4-chlorophenyl hept-2-yl ester. Fumaric acid, 2-octyl 3-chlorophenyl ester.

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

Sources

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.
These property values are available through the Cheméo API. A free account gives you an access key.