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

InChI

InChI=1S/C18H26F2O2/c1-3-4-5-6-7-8-9-10-13-22-18(21)16-15(19)12-11-14(2)17(16)20/h11-12H,3-10,13H2,1-2H3

InChI Key

IYADFPCKZSRUAM-UHFFFAOYSA-N

Formula

C18H26F2O2

SMILES

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

Molecular Weight¹

312.39

• 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	0.8765		Relay (1.0) Calculated Property
ΔfG°	-439.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-848.23	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.20	kJ/mol	Joback Calculated Property
ΔvapH°	90.80	kJ/mol	Relay (1.0) Calculated Property
IE	8.87	eV	Relay (1.0) Calculated Property
log10WS	-6.65		Relay (1.0) Calculated Property
logPoct/wat	5.571		Crippen Calculated Property
McVol	251.700	ml/mol	McGowan Calculated Property
Pc	1367.69	kPa	Joback Calculated Property
Inp	[2102.00; 2102.00]
Inp	2102.00		NIST
Inp	2102.00		NIST
Tboil	597.97	K	Relay (1.0) Calculated Property
Tc	796.42	K	Relay (1.0) Calculated Property
Tfus	289.11	K	Relay (1.0) Calculated Property
Vc	0.956	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[725.56; 810.73]	J/mol×K	[727.69; 910.80]
Cp,gas	725.56	J/mol×K	727.69	Joback Calculated Property
Cp,gas	741.83	J/mol×K	758.21	Joback Calculated Property
Cp,gas	757.25	J/mol×K	788.73	Joback Calculated Property
Cp,gas	771.83	J/mol×K	819.24	Joback Calculated Property
Cp,gas	785.60	J/mol×K	849.76	Joback Calculated Property
Cp,gas	798.56	J/mol×K	880.28	Joback Calculated Property
Cp,gas	810.73	J/mol×K	910.80	Joback Calculated Property

Similar Compounds

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

Sources

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

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