Chemical Properties of 6-Fluoro-2-trifluoromethylbenzoic acid, octyl ester

InChI

InChI=1S/C16H20F4O2/c1-2-3-4-5-6-7-11-22-15(21)14-12(16(18,19)20)9-8-10-13(14)17/h8-10H,2-7,11H2,1H3

InChI Key

SSJYBFJKRUXJSU-UHFFFAOYSA-N

Formula

C16H20F4O2

SMILES

CCCCCCCCOC(=O)c1c(F)cccc1C(F)(F)F

Molecular Weight¹

320.32

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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
ΔfG°	-833.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-1197.97	kJ/mol	Joback Calculated Property
ΔfusH°	38.15	kJ/mol	Joback Calculated Property
ΔvapH°	59.40	kJ/mol	Joback Calculated Property
log10WS	-6.08		Crippen Calculated Property
logPoct/wat	5.362		Crippen Calculated Property
McVol	227.060	ml/mol	McGowan Calculated Property
Pc	1516.39	kPa	Joback Calculated Property
Inp	[1741.00; 1741.00]
Inp	1741.00		NIST
Inp	1741.00		NIST
Tboil	672.26	K	Joback Calculated Property
Tc	850.60	K	Joback Calculated Property
Tfus	398.48	K	Joback Calculated Property
Vc	0.908	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[633.67; 711.25]	J/mol×K	[672.26; 850.60]
Cp,gas	633.67	J/mol×K	672.26	Joback Calculated Property
Cp,gas	648.54	J/mol×K	701.98	Joback Calculated Property
Cp,gas	662.59	J/mol×K	731.71	Joback Calculated Property
Cp,gas	675.86	J/mol×K	761.43	Joback Calculated Property
Cp,gas	688.38	J/mol×K	791.15	Joback Calculated Property
Cp,gas	700.16	J/mol×K	820.88	Joback Calculated Property
Cp,gas	711.25	J/mol×K	850.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to 6-Fluoro-2-trifluoromethylbenzoic acid, octyl ester.

Sources

• 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.