Chemical Properties of 2-Fluoro-5-trifluoromethylbenzoic acid, nonyl ester

InChI

InChI=1S/C17H22F4O2/c1-2-3-4-5-6-7-8-11-23-16(22)14-12-13(17(19,20)21)9-10-15(14)18/h9-10,12H,2-8,11H2,1H3

InChI Key

HLPBFRSEHXKADZ-UHFFFAOYSA-N

Formula

C17H22F4O2

SMILES

CCCCCCCCCOC(=O)c1cc(C(F)(F)F)ccc1F

Molecular Weight¹

334.35

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

Physical Properties

Property	Value	Unit	Source
ω	0.8356		Relay (1.0) Calculated Property
ΔfG°	-824.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-1302.45	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.74	kJ/mol	Joback Calculated Property
ΔvapH°	81.05	kJ/mol	Relay (1.0) Calculated Property
IE	9.44	eV	Relay (1.0) Calculated Property
log10WS	-6.51		Relay (1.0) Calculated Property
logPoct/wat	5.752		Crippen Calculated Property
McVol	241.150	ml/mol	McGowan Calculated Property
Pc	1409.07	kPa	Joback Calculated Property
Inp	[1825.00; 1825.00]
Inp	1825.00		NIST
Inp	1825.00		NIST
Tboil	573.89	K	Relay (1.0) Calculated Property
Tc	763.27	K	Relay (1.0) Calculated Property
Tfus	305.27	K	Relay (1.0) Calculated Property
Vc	0.910	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[688.03; 767.70]	J/mol×K	[695.14; 873.15]
Cp,gas	688.03	J/mol×K	695.14	Joback Calculated Property
Cp,gas	703.30	J/mol×K	724.81	Joback Calculated Property
Cp,gas	717.74	J/mol×K	754.48	Joback Calculated Property
Cp,gas	731.37	J/mol×K	784.15	Joback Calculated Property
Cp,gas	744.21	J/mol×K	813.81	Joback Calculated Property
Cp,gas	756.32	J/mol×K	843.48	Joback Calculated Property
Cp,gas	767.70	J/mol×K	873.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Fluoro-5-trifluoromethylbenzoic acid, nonyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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