Chemical Properties of proclonol, TFA

proclonol, TFA

InChI
InChI=1S/C18H13Cl2F3O2/c19-14-7-3-12(4-8-14)17(11-1-2-11,25-16(24)18(21,22)23)13-5-9-15(20)10-6-13/h3-11H,1-2H2
InChI Key
RJHYOGGOZYGMJT-UHFFFAOYSA-N
Formula
C18H13Cl2F3O2
SMILES
O=C(OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C1CC1)C(F)(F)F
Molecular Weight1
389.20
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Physical Properties

Property Value Unit Source
ΔfusH° 33.41 kJ/mol Joback Calculated Property
logPoct/wat 5.753 Crippen Calculated Property
McVol 243.330 ml/mol McGowan Calculated Property
Inp [2187.00; 2195.00]   Show Hide
Inp 2195.00 NIST
Inp 2187.00 NIST
Inp 2187.00 NIST
Inp 2195.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [684.08; 747.23] J/mol×K [823.80; 1063.27] Show Hide
Cp,gas 684.08 J/mol×K 823.80 Joback Calculated Property
Cp,gas 696.65 J/mol×K 863.71 Joback Calculated Property
Cp,gas 708.20 J/mol×K 903.62 Joback Calculated Property
Cp,gas 718.87 J/mol×K 943.53 Joback Calculated Property
Cp,gas 728.82 J/mol×K 983.45 Joback Calculated Property
Cp,gas 738.22 J/mol×K 1023.36 Joback Calculated Property
Cp,gas 747.23 J/mol×K 1063.27 Joback Calculated Property

Similar Compounds

Proclonol. A-cyclopropyl-a-(2-pyridyl) benzyl alcohol. Quifenadine, trimethylsilyl deriv.. 4-[2-(4-Allyl-2,6-dimethoxy-phenoxy)-1-hydroxy-propyl]-2-methoxy-phenol, TES. 7-[(2-hydroxy-2-phenylacetyl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. Physostigmine. Ancymidol. 4-[2-(4-Allyl-2,6-dimethoxy-phenoxy)-1-hydroxy-propyl]-2-methoxy-phenol, TPS. N-Desmethyl-cis-tramadol, N-trimethylsilyl-, trimethylsilyl ether. Cialis. Hypoxanthine-7-ethanol, 2,3-dihydro-3-(diphenylmethyl)-, acetate. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 2. 5-Hydroxy-tetraline-cis-2,3-diol, ferrocenylboronate. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 1. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate.

Find more compounds similar to proclonol, TFA.

Sources

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