Chemical Properties of Glutaric acid, 2-fluoro-6-(trifluoromethyl)benzyl hexyl ester

InChI

InChI=1S/C19H24F4O4/c1-2-3-4-5-12-26-17(24)10-7-11-18(25)27-13-14-15(19(21,22)23)8-6-9-16(14)20/h6,8-9H,2-5,7,10-13H2,1H3

InChI Key

USHNNYBVDNAXJI-UHFFFAOYSA-N

Formula

C19H24F4O4

SMILES

CCCCCCOC(=O)CCCC(=O)OCc1c(F)cccc1C(F)(F)F

Molecular Weight¹

392.39

• 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°	-1041.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-1504.69	kJ/mol	Joback Calculated Property
ΔfusH°	48.71	kJ/mol	Joback Calculated Property
ΔvapH°	75.24	kJ/mol	Joback Calculated Property
log10WS	-6.12		Crippen Calculated Property
logPoct/wat	5.182		Crippen Calculated Property
McVol	276.770	ml/mol	McGowan Calculated Property
Pc	1266.45	kPa	Joback Calculated Property
Inp	[2421.00; 2421.00]
Inp	2421.00		NIST
Inp	2421.00		NIST
Tboil	817.19	K	Joback Calculated Property
Tc	1006.53	K	Joback Calculated Property
Tfus	504.45	K	Joback Calculated Property
Vc	1.101	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[849.51; 921.70]	J/mol×K	[817.19; 1006.53]
Cp,gas	849.51	J/mol×K	817.19	Joback Calculated Property
Cp,gas	863.86	J/mol×K	848.75	Joback Calculated Property
Cp,gas	877.24	J/mol×K	880.30	Joback Calculated Property
Cp,gas	889.68	J/mol×K	911.86	Joback Calculated Property
Cp,gas	901.22	J/mol×K	943.41	Joback Calculated Property
Cp,gas	911.88	J/mol×K	974.97	Joback Calculated Property
Cp,gas	921.70	J/mol×K	1006.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-fluoro-6-(trifluoromethyl)benzyl hexyl ester.

Sources

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

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