Chemical Properties of Trimethylsilyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate

InChI

InChI=1S/C17H15ClF3NO5Si/c1-28(2,3)27-16(23)12-9-11(5-6-14(12)22(24)25)26-15-7-4-10(8-13(15)18)17(19,20)21/h4-9H,1-3H3

InChI Key

LYBBQUWIIRSFIA-UHFFFAOYSA-N

Formula

C17H15ClF3NO5Si

SMILES

C[Si](C)(C)OC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

Molecular Weight¹

433.84

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-6.59		Relay (1.0) Calculated Property
logPoct/wat	6.051		Crippen Calculated Property
Inp	[2320.00; 2320.00]
Inp	2320.00		NIST
Inp	2320.00		NIST
Tboil	641.57	K	Relay (1.0) Calculated Property
Tfus	357.39	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, 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.

Similar Compounds

Find more compounds similar to Trimethylsilyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• NIST Webbook

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