Chemical Properties of Fumaric acid, 3-phenylpropyl 2-chloro-6-fluorophenyl ester

Fumaric acid, 3-phenylpropyl 2-chloro-6-fluorophenyl ester

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InChI
InChI=1S/C19H16ClFO4/c20-15-9-4-10-16(21)19(15)25-18(23)12-11-17(22)24-13-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-12H,5,8,13H2/b12-11+
InChI Key
RDDTXQCMDJQJBP-VAWYXSNFSA-N
Formula
C19H16ClFO4
SMILES
O=C(C=CC(=O)Oc1c(F)cccc1Cl)OCCCc1ccccc1
Molecular Weight1
362.78
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Physical Properties

Property Value Unit Source
Δf -279.70 kJ/mol Joback Calculated Property
Δfgas -569.60 kJ/mol Joback Calculated Property
Δfus 45.32 kJ/mol Joback Calculated Property
Δvap 85.60 kJ/mol Joback Calculated Property
log10WS -5.23 Crippen Calculated Property
logPoct/wat 4.117 Crippen Calculated Property
McVol 255.640 ml/mol McGowan Calculated Property
Pc 1813.86 kPa Joback Calculated Property
Inp [2611.00; 2611.00]   Show Hide
Inp 2611.00 NIST
Inp 2611.00 NIST
Tboil 890.88 K Joback Calculated Property
Tc 1119.91 K Joback Calculated Property
Tfus 551.52 K Joback Calculated Property
Vc 0.979 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [725.60; 780.36] J/mol×K [890.88; 1119.91] Show Hide
Cp,gas 725.60 J/mol×K 890.88 Joback Calculated Property
Cp,gas 737.33 J/mol×K 929.05 Joback Calculated Property
Cp,gas 747.95 J/mol×K 967.22 Joback Calculated Property
Cp,gas 757.51 J/mol×K 1005.40 Joback Calculated Property
Cp,gas 766.07 J/mol×K 1043.57 Joback Calculated Property
Cp,gas 773.66 J/mol×K 1081.74 Joback Calculated Property
Cp,gas 780.36 J/mol×K 1119.91 Joback Calculated Property

Similar Compounds

Fumaric acid, 3-phenylpropyl 2-fluorophenyl ester. Fumaric acid, 3-phenylpropyl 3-chlorophenyl ester. Succinic acid, 2-chloro-6-fluorophenyl 3-phenylpropyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 3-phenylpropyl ester. Fumaric acid, 2-phenethyl 2-chloro-6-fluorophenyl ester. Quebrachamine. Poligodial + p-Tyr (ethyl ester) adduct (S). Poligodial + p-Tyr (ethyl ester) adduct (S), acetylated, # 2. Poligodial + o-Tyr (ethyl ester) adduct (R,S). Poligodial + p-Tyr (ethyl ester) adduct (S), acetylated, # 1. Carteolol hydroxy, acetylated. Physostigmine. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5«alpha»)-. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 2.

Find more compounds similar to Fumaric acid, 3-phenylpropyl 2-chloro-6-fluorophenyl ester.

Sources

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