Chemical Properties of 2-Trifluorobenzoic acid, 2-isopropoxyphenyl ester

InChI

InChI=1S/C17H15F3O3/c1-11(2)22-14-9-5-6-10-15(14)23-16(21)12-7-3-4-8-13(12)17(18,19)20/h3-11H,1-2H3

InChI Key

RKUHEWWYEWWTCT-UHFFFAOYSA-N

Formula

C17H15F3O3

SMILES

CC(C)Oc1ccccc1OC(=O)c1ccccc1C(F)(F)F

Molecular Weight¹

324.29

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	29.37	kJ/mol	Joback Calculated Property
log10WS	-4.35		Relay (1.0) Calculated Property
logPoct/wat	4.712		Crippen Calculated Property
McVol	221.490	ml/mol	McGowan Calculated Property
Inp	[1944.00; 1944.00]
Inp	1944.00		NIST
Inp	1944.00		NIST
Tfus	325.44	K	Relay (1.0) Calculated Property

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[623.58; 693.41]	J/mol×K	[744.53; 960.20]
Cp,gas	623.58	J/mol×K	744.53	Joback Calculated Property
Cp,gas	637.87	J/mol×K	780.47	Joback Calculated Property
Cp,gas	651.04	J/mol×K	816.42	Joback Calculated Property
Cp,gas	663.13	J/mol×K	852.36	Joback Calculated Property
Cp,gas	674.19	J/mol×K	888.31	Joback Calculated Property
Cp,gas	684.27	J/mol×K	924.25	Joback Calculated Property
Cp,gas	693.41	J/mol×K	960.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Trifluorobenzoic acid, 2-isopropoxyphenyl ester.

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
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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