Chemical Properties of aceclofenac

aceclofenac

InChI
InChI=1S/C16H13Cl2NO4/c17-11-5-3-6-12(18)16(11)19-13-7-2-1-4-10(13)8-15(22)23-9-14(20)21/h1-7,19H,8-9H2,(H,20,21)
InChI Key
MNIPYSSQXLZQLJ-UHFFFAOYSA-N
Formula
C16H13Cl2NO4
SMILES
O=C(O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Molecular Weight1
354.19
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Physical Properties

Property Value Unit Source
ω 0.9652 Relay (1.0) Calculated Property
ΔfG° -154.36 kJ/mol Joback Calculated Property
ΔfH°gas -565.72 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 46.08 kJ/mol Joback Calculated Property
ΔvapH° 136.11 kJ/mol Relay (1.0) Calculated Property
IE 7.48 eV Relay (1.0) Calculated Property
log10WS -2.54 Aq. Solubility Prediction
logPoct/wat 3.907 Crippen Calculated Property
McVol 238.120 ml/mol McGowan Calculated Property
Pc 2507.52 kPa Joback Calculated Property
Tboil 672.14 K Relay (1.0) Calculated Property
Tc 1023.98 K Relay (1.0) Calculated Property
Tfus 428.60 K Relay (1.0) Calculated Property
Vc 0.816 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [663.44; 696.07] J/mol×K [981.15; 1215.61] Show Hide
Cp,gas 663.44 J/mol×K 981.15 Joback Calculated Property
Cp,gas 671.09 J/mol×K 1020.23 Joback Calculated Property
Cp,gas 677.81 J/mol×K 1059.30 Joback Calculated Property
Cp,gas 683.62 J/mol×K 1098.38 Joback Calculated Property
Cp,gas 688.57 J/mol×K 1137.46 Joback Calculated Property
Cp,gas 692.71 J/mol×K 1176.54 Joback Calculated Property
Cp,gas 696.07 J/mol×K 1215.61 Joback Calculated Property

Similar Compounds

Diclofenac, methyl ester. Diclofenac. Diclofenac, hydroxy, bis-methylated. Dichlofenac, TBDMS. Anthracene, 1,2-dihydro-trans-1,2-diol, DTBS. Riboflavin, 2',3',4',5'-tetrapropanoate. Glyceollin II, TMS. Glyceollin I, TMS. THYMIDINE, 3'-(O-TERT.-BUTYLDIMETHYLSILYL)-5'-ACETYL-. Guanine deoxyriboside, TMS. Moexipril Me. azadirachtin. Thymidine, 3'-O-acetyl, 5'-O-TBDMS. Leu-Trp, N-trimethylsilyl-, trimethylsilyl ester. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-.

Find more compounds similar to aceclofenac.

Sources

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