Chemical Properties of 5-Fluoro-3-trifluoromethylbenzoic acid, decyl ester

InChI

InChI=1S/C18H24F4O2/c1-2-3-4-5-6-7-8-9-10-24-17(23)14-11-15(18(20,21)22)13-16(19)12-14/h11-13H,2-10H2,1H3

InChI Key

UQVZKVHQYAZKET-UHFFFAOYSA-N

Formula

C18H24F4O2

SMILES

CCCCCCCCCCOC(=O)c1cc(F)cc(C(F)(F)F)c1

Molecular Weight¹

348.38

• ω : Acentric Factor.
• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8791		Relay (1.0) Calculated Property
ΔfusH°	43.33	kJ/mol	Joback Calculated Property
log10WS	-7.01		Relay (1.0) Calculated Property
logPoct/wat	6.142		Crippen Calculated Property
McVol	255.240	ml/mol	McGowan Calculated Property
Pc	1312.75	kPa	Joback Calculated Property
Inp	[1853.00; 1853.00]
Inp	1853.00		NIST
Inp	1853.00		NIST
Tboil	582.84	K	Relay (1.0) Calculated Property
Tc	773.63	K	Relay (1.0) Calculated Property
Tfus	306.42	K	Relay (1.0) Calculated Property
Vc	0.967	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, 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	[743.55; 825.17]	J/mol×K	[718.02; 896.17]
Cp,gas	743.55	J/mol×K	718.02	Joback Calculated Property
Cp,gas	759.20	J/mol×K	747.71	Joback Calculated Property
Cp,gas	774.00	J/mol×K	777.40	Joback Calculated Property
Cp,gas	787.96	J/mol×K	807.10	Joback Calculated Property
Cp,gas	801.12	J/mol×K	836.79	Joback Calculated Property
Cp,gas	813.51	J/mol×K	866.48	Joback Calculated Property
Cp,gas	825.17	J/mol×K	896.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Fluoro-3-trifluoromethylbenzoic acid, decyl ester.

Sources

• Cheméo Relay (1.0)
• 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.