Chemical Properties of Glutaric acid, 3-methylbut-2-en-1-yl 2-fluoro-3-trifluoromethylphenyl ester

InChI

InChI=1S/C17H18F4O4/c1-11(2)9-10-24-14(22)7-4-8-15(23)25-13-6-3-5-12(16(13)18)17(19,20)21/h3,5-6,9H,4,7-8,10H2,1-2H3

InChI Key

INXMIJHHWQNFBG-UHFFFAOYSA-N

Formula

C17H18F4O4

SMILES

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

Molecular Weight¹

362.32

• 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°	-987.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-1355.98	kJ/mol	Joback Calculated Property
ΔfusH°	42.42	kJ/mol	Joback Calculated Property
ΔvapH°	70.82	kJ/mol	Joback Calculated Property
log10WS	-5.29		Crippen Calculated Property
logPoct/wat	4.430		Crippen Calculated Property
McVol	244.290	ml/mol	McGowan Calculated Property
Pc	1524.69	kPa	Joback Calculated Property
Inp	[1988.00; 1988.00]
Inp	1988.00		NIST
Inp	1988.00		NIST
Tboil	775.47	K	Joback Calculated Property
Tc	968.18	K	Joback Calculated Property
Tfus	462.87	K	Joback Calculated Property
Vc	0.970	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[710.57; 777.27]	J/mol×K	[775.47; 968.18]
Cp,gas	710.57	J/mol×K	775.47	Joback Calculated Property
Cp,gas	723.73	J/mol×K	807.59	Joback Calculated Property
Cp,gas	736.02	J/mol×K	839.71	Joback Calculated Property
Cp,gas	747.49	J/mol×K	871.83	Joback Calculated Property
Cp,gas	758.16	J/mol×K	903.94	Joback Calculated Property
Cp,gas	768.08	J/mol×K	936.06	Joback Calculated Property
Cp,gas	777.27	J/mol×K	968.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-2-en-1-yl 2-fluoro-3-trifluoromethylphenyl ester.

Sources

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

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