Chemical Properties of 2,6-Difluoro-3-methylbenzoic acid, nonyl ester

InChI

InChI=1S/C17H24F2O2/c1-3-4-5-6-7-8-9-12-21-17(20)15-14(18)11-10-13(2)16(15)19/h10-11H,3-9,12H2,1-2H3

InChI Key

ZIWQGGZBEOHRAL-UHFFFAOYSA-N

Formula

C17H24F2O2

SMILES

CCCCCCCCCOC(=O)c1c(F)ccc(C)c1F

Molecular Weight¹

298.37

• 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	0.8389		Relay (1.0) Calculated Property
ΔfG°	-447.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-827.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.61	kJ/mol	Joback Calculated Property
ΔvapH°	86.43	kJ/mol	Relay (1.0) Calculated Property
IE	8.84	eV	Relay (1.0) Calculated Property
log10WS	-6.36		Relay (1.0) Calculated Property
logPoct/wat	5.181		Crippen Calculated Property
McVol	237.610	ml/mol	McGowan Calculated Property
Pc	1470.23	kPa	Joback Calculated Property
Inp	[2002.00; 2002.00]
Inp	2002.00		NIST
Inp	2002.00		NIST
Tboil	588.49	K	Relay (1.0) Calculated Property
Tc	786.36	K	Relay (1.0) Calculated Property
Tfus	283.80	K	Relay (1.0) Calculated Property
Vc	0.901	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[669.60; 752.89]	J/mol×K	[704.81; 888.17]
Cp,gas	669.60	J/mol×K	704.81	Joback Calculated Property
Cp,gas	685.47	J/mol×K	735.37	Joback Calculated Property
Cp,gas	700.53	J/mol×K	765.93	Joback Calculated Property
Cp,gas	714.78	J/mol×K	796.49	Joback Calculated Property
Cp,gas	728.25	J/mol×K	827.05	Joback Calculated Property
Cp,gas	740.95	J/mol×K	857.61	Joback Calculated Property
Cp,gas	752.89	J/mol×K	888.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,6-Difluoro-3-methylbenzoic acid, nonyl 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.