Chemical Properties of Dichlorophen, O,O'-di(3-trifluoromethylbenzoyl)-

Dichlorophen, O,O'-di(3-trifluoromethylbenzoyl)-

InChI
InChI=1S/C29H16Cl2F6O4/c30-22-7-9-24(40-26(38)16-3-1-5-20(12-16)28(32,33)34)18(14-22)11-19-15-23(31)8-10-25(19)41-27(39)17-4-2-6-21(13-17)29(35,36)37/h1-10,12-15H,11H2
InChI Key
NWSJXVYBCWVKAI-UHFFFAOYSA-N
Formula
C29H16Cl2F6O4
SMILES
O=C(Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1
Molecular Weight1
613.33
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Physical Properties

Property Value Unit Source
ΔfusH° 65.48 kJ/mol Joback Calculated Property
IE 8.69 eV Relay (1.0) Calculated Property
logPoct/wat 9.060 Crippen Calculated Property
McVol 374.410 ml/mol McGowan Calculated Property
Inp [3316.00; 3316.00]   Show Hide
Inp 3316.00 NIST
Inp 3316.00 NIST
Tboil 789.34 K Relay (1.0) Calculated Property
Tfus 414.62 K Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [512.71; 1101.24] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-9.09900e+00
Coefficient B2.31260e+00
Coefficient C-1.56996e-03
Coefficient D3.67700e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 512.71 J/mol×K 273.00 Calculated Property
Cp,gas 628.83 J/mol×K 353.78 Calculated Property
Cp,gas 729.56 J/mol×K 434.56 Calculated Property
Cp,gas 816.05 J/mol×K 515.33 Calculated Property
Cp,gas 889.47 J/mol×K 596.11 Calculated Property
Cp,gas 950.99 J/mol×K 676.89 Calculated Property
Cp,gas 1001.76 J/mol×K 757.67 Calculated Property
Cp,gas 1042.95 J/mol×K 838.44 Calculated Property
Cp,gas 1075.72 J/mol×K 919.22 Calculated Property
Cp,gas 1101.24 J/mol×K 1000.00 Calculated Property

Similar Compounds

Dichlorophen, O-(3-trifluoromethylbenzoyl)-. Dichlorophen, O,O'-(2-trifluoromethylbenzoyl)-. Dichlorophen, O-(2-trifluoromethylbenzoyl)-. Dichlorophen, O,O'-di(4-methylbenzoyl)-. Dichlorphen, O,O'-dibenzoyl-. Dichlorphen, O,O'-bis(3-Fluoro-4-trifluoromethylbenzoyl)-. Dichlorophen, O,O'-(4-fluorobenzoyl)-. Dichlorophen, O,O'-di(3-fluorobenzoyl)-. Dichlorphen, O,O'-bis(2,4-difluorobenzoyl)-. 2,5-Di(trifluoromethyl)benzoic acid, 4-chloro-2-methylphenyl ester. Dichlorophen, O,O'-di(2-furoyl)-. Dichlorphen, O,O'-di(pentafluorobenzoyl)-. 4-Fluoro-2-trifluoromethylbenzoic acid, 2-(1-phenyleth-1-yl)-4-methoxyphenyl ester. 6-Fluoro-3-trifluoromethylbenzoic acid, 4-chloro-2-methylphenyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 2-(1-phenyleth-1-yl)-4-methoxyphenyl ester.

Find more compounds similar to Dichlorophen, O,O'-di(3-trifluoromethylbenzoyl)-.

Sources

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