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

InChI

InChI=1S/C21H32F2O2/c1-4-6-7-8-9-10-11-12-13-17(5-2)25-21(24)19-18(22)15-14-16(3)20(19)23/h14-15,17H,4-13H2,1-3H3

InChI Key

QWSMUBZECUNDJF-UHFFFAOYSA-N

Formula

C21H32F2O2

SMILES

CCCCCCCCCCC(CC)OC(=O)c1c(F)ccc(C)c1F

Molecular Weight¹

354.47

• 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	0.9349		Relay (1.0) Calculated Property
ΔfG°	-416.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-917.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.44	kJ/mol	Joback Calculated Property
ΔvapH°	100.33	kJ/mol	Relay (1.0) Calculated Property
IE	8.95	eV	Relay (1.0) Calculated Property
log10WS	-7.24		Relay (1.0) Calculated Property
logPoct/wat	6.739		Crippen Calculated Property
McVol	293.970	ml/mol	McGowan Calculated Property
Pc	1123.06	kPa	Joback Calculated Property
Inp	[2311.00; 2311.00]
Inp	2311.00		NIST
Inp	2311.00		NIST
Tboil	617.71	K	Relay (1.0) Calculated Property
Tc	815.52	K	Relay (1.0) Calculated Property
Tfus	283.20	K	Relay (1.0) Calculated Property
Vc	1.105	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[900.22; 990.69]	J/mol×K	[795.89; 982.92]
Cp,gas	900.22	J/mol×K	795.89	Joback Calculated Property
Cp,gas	917.73	J/mol×K	827.06	Joback Calculated Property
Cp,gas	934.23	J/mol×K	858.23	Joback Calculated Property
Cp,gas	949.75	J/mol×K	889.41	Joback Calculated Property
Cp,gas	964.32	J/mol×K	920.58	Joback Calculated Property
Cp,gas	977.96	J/mol×K	951.75	Joback Calculated Property
Cp,gas	990.69	J/mol×K	982.92	Joback Calculated Property

Similar Compounds

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