Chemical Properties of 2,6-Difluoro-3-methylbenzoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester

InChI

InChI=1S/C12H7F9O2/c1-5-2-3-6(13)7(8(5)14)9(22)23-4-10(15,16)11(17,18)12(19,20)21/h2-3H,4H2,1H3

InChI Key

CXTFXSRUMLMKOH-UHFFFAOYSA-N

Formula

C12H7F9O2

SMILES

Cc1ccc(F)c(C(=O)OCC(F)(F)C(F)(F)C(F)(F)F)c1F

Molecular Weight¹

354.17

• 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°	-1845.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-2124.93	kJ/mol	Joback Calculated Property
ΔfusH°	27.97	kJ/mol	Joback Calculated Property
ΔvapH°	44.48	kJ/mol	Joback Calculated Property
log10WS	-5.40		Crippen Calculated Property
logPoct/wat	4.263		Crippen Calculated Property
McVol	179.550	ml/mol	McGowan Calculated Property
Pc	1756.54	kPa	Joback Calculated Property
Inp	[1230.00; 1230.00]
Inp	1230.00		NIST
Inp	1230.00		NIST
Tboil	575.61	K	Joback Calculated Property
Tc	741.42	K	Joback Calculated Property
Tfus	373.71	K	Joback Calculated Property
Vc	0.752	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[476.82; 533.87]	J/mol×K	[575.61; 741.42]
Cp,gas	476.82	J/mol×K	575.61	Joback Calculated Property
Cp,gas	488.03	J/mol×K	603.24	Joback Calculated Property
Cp,gas	498.51	J/mol×K	630.88	Joback Calculated Property
Cp,gas	508.30	J/mol×K	658.51	Joback Calculated Property
Cp,gas	517.44	J/mol×K	686.15	Joback Calculated Property
Cp,gas	525.95	J/mol×K	713.78	Joback Calculated Property
Cp,gas	533.87	J/mol×K	741.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,6-Difluoro-3-methylbenzoic acid, 2,2,3,3,4,4,4-heptafluorobutyl 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.