Chemical Properties of Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, 2-bromo-4-fluorophenyl ester

Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, 2-bromo-4-fluorophenyl ester

InChI
InChI=1S/C17H12BrClFNO4/c1-24-15-4-2-10(19)8-13(15)21-16(22)6-7-17(23)25-14-5-3-11(20)9-12(14)18/h2-9H,1H3,(H,21,22)/b7-6+
InChI Key
QDOQKHFSYBGXTR-VOTSOKGWSA-N
Formula
C17H12BrClFNO4
SMILES
COc1ccc(Cl)cc1NC(=O)C=CC(=O)Oc1ccc(F)cc1Br
Molecular Weight1
428.64
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Physical Properties

Property Value Unit Source
ω 0.8680 Relay (1.0) Calculated Property
ΔfG° -212.09 kJ/mol Joback Calculated Property
ΔfH°gas -595.06 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 49.75 kJ/mol Joback Calculated Property
ΔvapH° 117.14 kJ/mol Relay (1.0) Calculated Property
IE 8.07 eV Relay (1.0) Calculated Property
log10WS -5.83 Relay (1.0) Calculated Property
logPoct/wat 4.350 Crippen Calculated Property
McVol 254.940 ml/mol McGowan Calculated Property
Pc 2258.96 kPa Joback Calculated Property
Inp 3279.00 NIST
Tboil 666.44 K Relay (1.0) Calculated Property
Tc 980.63 K Relay (1.0) Calculated Property
Tfus 415.88 K Relay (1.0) Calculated Property
Vc 0.866 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [686.80; 723.85] J/mol×K [971.41; 1215.85] Show Hide
Cp,gas 686.80 J/mol×K 971.41 Joback Calculated Property
Cp,gas 695.36 J/mol×K 1012.15 Joback Calculated Property
Cp,gas 702.91 J/mol×K 1052.89 Joback Calculated Property
Cp,gas 709.48 J/mol×K 1093.63 Joback Calculated Property
Cp,gas 715.12 J/mol×K 1134.37 Joback Calculated Property
Cp,gas 719.90 J/mol×K 1175.11 Joback Calculated Property
Cp,gas 723.85 J/mol×K 1215.85 Joback Calculated Property

Similar Compounds

Fumaric acid, monoamide, N-(2-methoxy-5-chlorophenyl)-, 4-bromophenyl ester. Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, 2-fluorophenyl ester. Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, 3-fluorophenyl ester. Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, 3,5-difluorophenyl ester. Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, 2-chlorophenyl ester. Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, 2,4,6-trichlorophenyl ester. Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, 4-isopropoxyphenyl ester. Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, 4-chloro-2-methylphenyl ester. Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, neopentyl ester. Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, isopropyl ester. Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, pentafluorobenzyl ester. Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, 2-pentyl ester. Griseofulvin. Carteolol hydroxy, acetylated. Uridine, 2'-O-acetyl, 3',5'-bis-O-TBDMS.

Find more compounds similar to Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, 2-bromo-4-fluorophenyl ester.

Sources

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