Chemical Properties of Trifluoroacetic acid, isopropyl ester

InChI

InChI=1S/C5H7F3O2/c1-3(2)10-4(9)5(6,7)8/h3H,1-2H3

InChI Key

ASAXRKSDVDALDT-UHFFFAOYSA-N

Formula

C5H7F3O2

SMILES

CC(C)OC(=O)C(F)(F)F

Molecular Weight¹

156.10

Other Names

• Acetic acid, trifluoro-, 1-methylethyl ester

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1077.03	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.80	kJ/mol	Joback Calculated Property
ΔvapH°	33.22	kJ/mol	Relay (1.0) Calculated Property
IE	11.04	eV	Relay (1.0) Calculated Property
log10WS	-0.65		Relay (1.0) Calculated Property
logPoct/wat	1.500		Crippen Calculated Property
McVol	94.060	ml/mol	McGowan Calculated Property
Pc	3228.31	kPa	Joback Calculated Property
Inp	[528.80; 528.80]
Inp	528.80		NIST
Inp	528.80		NIST
Tboil	[346.60; 359.00]	K
Tboil	346.60	K	NIST
Tboil	359.00	K	NIST
Tc	459.41	K	Relay (1.0) Calculated Property
Tfus	214.96	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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	[190.00; 236.76]	J/mol×K	[384.23; 549.62]
Cp,gas	190.00	J/mol×K	384.23	Joback Calculated Property
Cp,gas	198.72	J/mol×K	411.79	Joback Calculated Property
Cp,gas	207.06	J/mol×K	439.36	Joback Calculated Property
Cp,gas	215.02	J/mol×K	466.92	Joback Calculated Property
Cp,gas	222.62	J/mol×K	494.49	Joback Calculated Property
Cp,gas	229.86	J/mol×K	522.05	Joback Calculated Property
Cp,gas	236.76	J/mol×K	549.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Trifluoroacetic acid, isopropyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• 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.