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

InChI

InChI=1S/C20H30F2O2/c1-3-4-5-6-7-8-9-10-11-12-15-24-20(23)18-17(21)14-13-16(2)19(18)22/h13-14H,3-12,15H2,1-2H3

InChI Key

FEGRDNZQEZNMQG-UHFFFAOYSA-N

Formula

C20H30F2O2

SMILES

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

Molecular Weight¹

340.45

• 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	0.9497		Relay (1.0) Calculated Property
ΔfG°	-422.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-889.64	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.38	kJ/mol	Joback Calculated Property
ΔvapH°	99.11	kJ/mol	Relay (1.0) Calculated Property
IE	8.94	eV	Relay (1.0) Calculated Property
log10WS	-7.21		Relay (1.0) Calculated Property
logPoct/wat	6.351		Crippen Calculated Property
McVol	279.880	ml/mol	McGowan Calculated Property
Pc	1192.35	kPa	Joback Calculated Property
Inp	[2308.00; 2308.00]
Inp	2308.00		NIST
Inp	2308.00		NIST
Tboil	614.75	K	Relay (1.0) Calculated Property
Tc	814.68	K	Relay (1.0) Calculated Property
Tfus	298.53	K	Relay (1.0) Calculated Property
Vc	1.066	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[840.70; 929.20]	J/mol×K	[773.45; 957.68]
Cp,gas	840.70	J/mol×K	773.45	Joback Calculated Property
Cp,gas	857.72	J/mol×K	804.16	Joback Calculated Property
Cp,gas	873.80	J/mol×K	834.86	Joback Calculated Property
Cp,gas	888.96	J/mol×K	865.57	Joback Calculated Property
Cp,gas	903.24	J/mol×K	896.27	Joback Calculated Property
Cp,gas	916.65	J/mol×K	926.98	Joback Calculated Property
Cp,gas	929.20	J/mol×K	957.68	Joback Calculated Property

Similar Compounds

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

Sources

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

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