Chemical Properties of Glutaric acid, 3-methylbut-2-yl 2-fluoro-3-trifluoromethylphenyl ester

InChI

InChI=1S/C17H20F4O4/c1-10(2)11(3)24-14(22)8-5-9-15(23)25-13-7-4-6-12(16(13)18)17(19,20)21/h4,6-7,10-11H,5,8-9H2,1-3H3

InChI Key

QPUACUPGKMVSNB-UHFFFAOYSA-N

Formula

C17H20F4O4

SMILES

CC(C)C(C)OC(=O)CCCC(=O)Oc1cccc(C(F)(F)F)c1F

Molecular Weight¹

364.33

• 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°	-1063.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-1473.97	kJ/mol	Joback Calculated Property
ΔfusH°	36.48	kJ/mol	Joback Calculated Property
ΔvapH°	70.01	kJ/mol	Joback Calculated Property
log10WS	-5.30		Crippen Calculated Property
logPoct/wat	4.508		Crippen Calculated Property
McVol	248.590	ml/mol	McGowan Calculated Property
Pc	1477.02	kPa	Joback Calculated Property
Inp	[1885.00; 1885.00]
Inp	1885.00		NIST
Inp	1885.00		NIST
Tboil	770.55	K	Joback Calculated Property
Tc	961.03	K	Joback Calculated Property
Tfus	451.91	K	Joback Calculated Property
Vc	0.977	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[737.11; 807.08]	J/mol×K	[770.55; 961.03]
Cp,gas	737.11	J/mol×K	770.55	Joback Calculated Property
Cp,gas	751.02	J/mol×K	802.30	Joback Calculated Property
Cp,gas	764.00	J/mol×K	834.04	Joback Calculated Property
Cp,gas	776.07	J/mol×K	865.79	Joback Calculated Property
Cp,gas	787.26	J/mol×K	897.53	Joback Calculated Property
Cp,gas	797.58	J/mol×K	929.28	Joback Calculated Property
Cp,gas	807.08	J/mol×K	961.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-2-yl 2-fluoro-3-trifluoromethylphenyl ester.

Sources

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

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