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

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

InChI
InChI=1S/C17H21BrO4/c1-3-4-5-6-13(2)21-16(19)11-12-17(20)22-15-9-7-14(18)8-10-15/h7-13H,3-6H2,1-2H3/b12-11+
InChI Key
JHJKUUXLWREBEE-VAWYXSNFSA-N
Formula
C17H21BrO4
SMILES
CCCCCC(C)OC(=O)C=CC(=O)Oc1ccc(Br)cc1
Molecular Weight1
369.25
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Physical Properties

Property Value Unit Source
ΔfusH° 40.98 kJ/mol Joback Calculated Property
IE 8.78 eV Relay (1.0) Calculated Property
logPoct/wat 4.423 Crippen Calculated Property
McVol 254.710 ml/mol McGowan Calculated Property
Inp [2381.00; 2381.00]   Show Hide
Inp 2381.00 NIST
Inp 2381.00 NIST
Tboil 624.12 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 [717.79; 784.21] J/mol×K [842.48; 1061.54] Show Hide
Cp,gas 717.79 J/mol×K 842.48 Joback Calculated Property
Cp,gas 731.26 J/mol×K 878.99 Joback Calculated Property
Cp,gas 743.72 J/mol×K 915.50 Joback Calculated Property
Cp,gas 755.20 J/mol×K 952.01 Joback Calculated Property
Cp,gas 765.74 J/mol×K 988.52 Joback Calculated Property
Cp,gas 775.40 J/mol×K 1025.03 Joback Calculated Property
Cp,gas 784.21 J/mol×K 1061.54 Joback Calculated Property
η [0.0000533; 0.0005485] Pa×s [504.33; 842.48] Show Hide
η 0.0005485 Pa×s 504.33 Joback Calculated Property
η 0.0003060 Pa×s 560.69 Joback Calculated Property
η 0.0001899 Pa×s 617.05 Joback Calculated Property
η 0.0001276 Pa×s 673.40 Joback Calculated Property
η 0.0000912 Pa×s 729.76 Joback Calculated Property
η 0.0000684 Pa×s 786.12 Joback Calculated Property
η 0.0000533 Pa×s 842.48 Joback Calculated Property

Similar Compounds

Fumaric acid, naphth-2-yl hept-2-yl ester. Fumaric acid, naphth-2-yl dec-2-yl ester. Fumaric acid, 4-methoxyphenyl hept-2-yl ester. Fumaric acid, 4-chlorophenyl hept-2-yl ester. Fumaric acid, 2-octyl 3-chlorophenyl ester. Fumaric acid, 2-octyl 2-fluorophenyl ester. Fumaric acid, naphth-1-yl hept-2-yl ester. Fumaric acid, naphth-1-yl dec-2-yl ester. Fumaric acid, 4-nitrophenyl hept-2-yl ester. Fumaric acid, 4-bromophenyl 2-methylpent-3-yl ester. Fumaric acid, 2-methoxyphenyl hept-2-yl ester. Fumaric acid, 2-chlorophenyl hept-2-yl ester. Fumaric acid, 2,4-dichlorophenyl hept-2-yl ester. Fumaric acid, 2,4-dichlorophenyl dec-2-yl ester. Fumaric acid, 2,5-dichlorophenyl hept-2-yl ester.

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

Sources

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