Chemical Properties of 3,4-Difluorobenzoic acid, 3-dodecyl ester

InChI

InChI=1S/C19H28F2O2/c1-3-5-6-7-8-9-10-11-16(4-2)23-19(22)15-12-13-17(20)18(21)14-15/h12-14,16H,3-11H2,1-2H3

InChI Key

DELWAQBGOOUIHJ-UHFFFAOYSA-N

Formula

C19H28F2O2

SMILES

CCCCCCCCCC(CC)OC(=O)c1ccc(F)c(F)c1

Molecular Weight¹

326.42

• 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°	-423.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-864.20	kJ/mol	Joback Calculated Property
ΔfusH°	43.65	kJ/mol	Joback Calculated Property
ΔvapH°	68.62	kJ/mol	Joback Calculated Property
log10WS	-7.09		Crippen Calculated Property
logPoct/wat	6.041		Crippen Calculated Property
McVol	265.790	ml/mol	McGowan Calculated Property
Pc	1296.73	kPa	Joback Calculated Property
Inp	[2029.00; 2029.00]
Inp	2029.00		NIST
Inp	2029.00		NIST
Tboil	745.15	K	Joback Calculated Property
Tc	929.57	K	Joback Calculated Property
Tfus	413.69	K	Joback Calculated Property
Vc	1.046	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[783.42; 871.51]	J/mol×K	[745.15; 929.57]
Cp,gas	783.42	J/mol×K	745.15	Joback Calculated Property
Cp,gas	800.35	J/mol×K	775.89	Joback Calculated Property
Cp,gas	816.35	J/mol×K	806.62	Joback Calculated Property
Cp,gas	831.44	J/mol×K	837.36	Joback Calculated Property
Cp,gas	845.65	J/mol×K	868.10	Joback Calculated Property
Cp,gas	859.00	J/mol×K	898.84	Joback Calculated Property
Cp,gas	871.51	J/mol×K	929.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,4-Difluorobenzoic acid, 3-dodecyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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