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

• 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°	-439.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-849.75	kJ/mol	Joback Calculated Property
ΔfusH°	44.20	kJ/mol	Joback Calculated Property
ΔvapH°	67.45	kJ/mol	Joback Calculated Property
log10WS	-6.62		Crippen 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	727.69	K	Joback Calculated Property
Tc	910.80	K	Joback Calculated Property
Tfus	429.94	K	Joback Calculated Property
Vc	0.996	m3/kmol	Joback 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

• 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.