Chemical Properties of (2-methyl-3-phenylphenyl)methyl 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate (CAS 82657-04-3)

(2-methyl-3-phenylphenyl)methyl 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate

InChI
InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3
InChI Key
OMFRMAHOUUJSGP-UHFFFAOYSA-N
Formula
C23H22ClF3O2
SMILES
Cc1c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)cccc1-c1ccccc1
Molecular Weight1
422.87
CAS
82657-04-3
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Physical Properties

Property Value Unit Source
ΔfusH° 45.89 kJ/mol Joback Calculated Property
log10WS -6.85 Relay (1.0) Calculated Property
logPoct/wat 6.662 Crippen Calculated Property
McVol 297.240 ml/mol McGowan Calculated Property
Tfus 342.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Normal Boiling Point Temperature, 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, Ionization energy 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 [400.17; 971.38] 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-1.27359e+02
Coefficient B2.43496e+00
Coefficient C-2.03062e-03
Coefficient D6.94400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 400.17 J/mol×K 273.00 Calculated Property
Cp,gas 510.67 J/mol×K 353.78 Calculated Property
Cp,gas 604.29 J/mol×K 434.56 Calculated Property
Cp,gas 683.22 J/mol×K 515.33 Calculated Property
Cp,gas 749.66 J/mol×K 596.11 Calculated Property
Cp,gas 805.81 J/mol×K 676.89 Calculated Property
Cp,gas 853.86 J/mol×K 757.67 Calculated Property
Cp,gas 896.01 J/mol×K 838.44 Calculated Property
Cp,gas 934.45 J/mol×K 919.22 Calculated Property
Cp,gas 971.38 J/mol×K 1000.00 Calculated Property

Similar Compounds

Bifenthrin. 4',5'-Diiodofluorescein. cefuroxime acid. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. Cialis. Poligodial + m-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. Poligodial + m-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. Tryptophan-leucine-methionine,N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative. Cacotheline. Poligodial + m-Tyr (ethyl ester) adduct (R,S). hematein. Senecivernine. Normorphine, N-trimethylsilyl-, bis(trimethylsilyl) ether.

Find more compounds similar to (2-methyl-3-phenylphenyl)methyl 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate.

Sources

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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