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

InChI

InChI=1S/C19H26F4O2/c1-2-3-4-5-6-7-8-9-10-14-25-18(24)17-15(19(21,22)23)12-11-13-16(17)20/h11-13H,2-10,14H2,1H3

InChI Key

KCWNPLDNBMANMC-UHFFFAOYSA-N

Formula

C19H26F4O2

SMILES

CCCCCCCCCCCOC(=O)c1c(F)cccc1C(F)(F)F

Molecular Weight¹

362.40

• 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°	-808.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-1259.89	kJ/mol	Joback Calculated Property
ΔfusH°	45.92	kJ/mol	Joback Calculated Property
ΔvapH°	66.08	kJ/mol	Joback Calculated Property
log10WS	-7.34		Crippen Calculated Property
logPoct/wat	6.532		Crippen Calculated Property
McVol	269.330	ml/mol	McGowan Calculated Property
Pc	1225.98	kPa	Joback Calculated Property
Inp	[2039.00; 2039.00]
Inp	2039.00		NIST
Inp	2039.00		NIST
Tboil	740.90	K	Joback Calculated Property
Tc	919.72	K	Joback Calculated Property
Tfus	432.29	K	Joback Calculated Property
Vc	1.077	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[800.14; 883.62]	J/mol×K	[740.90; 919.72]
Cp,gas	800.14	J/mol×K	740.90	Joback Calculated Property
Cp,gas	816.18	J/mol×K	770.70	Joback Calculated Property
Cp,gas	831.31	J/mol×K	800.51	Joback Calculated Property
Cp,gas	845.59	J/mol×K	830.31	Joback Calculated Property
Cp,gas	859.04	J/mol×K	860.11	Joback Calculated Property
Cp,gas	871.71	J/mol×K	889.92	Joback Calculated Property
Cp,gas	883.62	J/mol×K	919.72	Joback Calculated Property

Similar Compounds

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