Chemical Properties of 1-Naphthaleneacetic acid, 2,2,3,3-tetrafluoropropyl ester

InChI

InChI=1S/C15H12F4O2/c16-14(17)15(18,19)9-21-13(20)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,14H,8-9H2

InChI Key

BNRXXMNOZGOCRS-UHFFFAOYSA-N

Formula

C15H12F4O2

SMILES

O=C(Cc1cccc2ccccc12)OCC(F)(F)C(F)F

Molecular Weight¹

300.25

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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°	31.03	kJ/mol	Joback Calculated Property
IE	8.42	eV	Relay (1.0) Calculated Property
log10WS	-4.51		Relay (1.0) Calculated Property
logPoct/wat	3.826		Crippen Calculated Property
McVol	193.510	ml/mol	McGowan Calculated Property
Inp	[2159.00; 2159.00]
Inp	2159.00		NIST
Inp	2159.00		NIST
Tfus	340.22	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 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	[516.20; 584.08]	J/mol×K	[645.07; 843.83]
Cp,gas	516.20	J/mol×K	645.07	Joback Calculated Property
Cp,gas	529.82	J/mol×K	678.20	Joback Calculated Property
Cp,gas	542.43	J/mol×K	711.32	Joback Calculated Property
Cp,gas	554.10	J/mol×K	744.45	Joback Calculated Property
Cp,gas	564.89	J/mol×K	777.58	Joback Calculated Property
Cp,gas	574.87	J/mol×K	810.70	Joback Calculated Property
Cp,gas	584.08	J/mol×K	843.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Naphthaleneacetic acid, 2,2,3,3-tetrafluoropropyl 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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