Chemical Properties of Glutaric acid, 2-fluoro-6-(trifluoromethyl)benzyl 2-methylhex-3-yl ester

InChI

InChI=1S/C20H26F4O4/c1-4-7-17(13(2)3)28-19(26)11-6-10-18(25)27-12-14-15(20(22,23)24)8-5-9-16(14)21/h5,8-9,13,17H,4,6-7,10-12H2,1-3H3

InChI Key

RVIIZLPWNGQSPN-UHFFFAOYSA-N

Formula

C20H26F4O4

SMILES

CCCC(OC(=O)CCCC(=O)OCc1c(F)cccc1C(F)(F)F)C(C)C

Molecular Weight¹

406.41

• 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°	-1038.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-1535.89	kJ/mol	Joback Calculated Property
ΔfusH°	44.25	kJ/mol	Joback Calculated Property
ΔvapH°	76.69	kJ/mol	Joback Calculated Property
log10WS	-6.40		Crippen Calculated Property
logPoct/wat	5.426		Crippen Calculated Property
McVol	290.860	ml/mol	McGowan Calculated Property
Pc	1197.30	kPa	Joback Calculated Property
Inp	[2374.00; 2374.00]
Inp	2374.00		NIST
Inp	2374.00		NIST
Tboil	839.19	K	Joback Calculated Property
Tc	1032.88	K	Joback Calculated Property
Tfus	485.72	K	Joback Calculated Property
Vc	1.145	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[908.63; 982.50]	J/mol×K	[839.19; 1032.88]
Cp,gas	908.63	J/mol×K	839.19	Joback Calculated Property
Cp,gas	923.46	J/mol×K	871.47	Joback Calculated Property
Cp,gas	937.25	J/mol×K	903.75	Joback Calculated Property
Cp,gas	950.01	J/mol×K	936.03	Joback Calculated Property
Cp,gas	961.78	J/mol×K	968.32	Joback Calculated Property
Cp,gas	972.60	J/mol×K	1000.60	Joback Calculated Property
Cp,gas	982.50	J/mol×K	1032.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-fluoro-6-(trifluoromethyl)benzyl 2-methylhex-3-yl ester.

Sources

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

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