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

InChI

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

InChI Key

OQBGTCBEIDTXEQ-UHFFFAOYSA-N

Formula

C19H24F4O4

SMILES

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

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°	-1044.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-1509.97	kJ/mol	Joback Calculated Property
ΔfusH°	45.19	kJ/mol	Joback Calculated Property
ΔvapH°	74.85	kJ/mol	Joback Calculated Property
log10WS	-6.38		Crippen Calculated Property
logPoct/wat	5.432		Crippen Calculated Property
McVol	276.770	ml/mol	McGowan Calculated Property
Pc	1273.69	kPa	Joback Calculated Property
Inp	[2081.00; 2081.00]
Inp	2081.00		NIST
Inp	2081.00		NIST
Tboil	816.75	K	Joback Calculated Property
Tc	1007.32	K	Joback Calculated Property
Tfus	489.45	K	Joback Calculated Property
Vc	1.095	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[850.05; 922.46]	J/mol×K	[816.75; 1007.32]
Cp,gas	850.05	J/mol×K	816.75	Joback Calculated Property
Cp,gas	864.49	J/mol×K	848.51	Joback Calculated Property
Cp,gas	877.94	J/mol×K	880.27	Joback Calculated Property
Cp,gas	890.43	J/mol×K	912.03	Joback Calculated Property
Cp,gas	901.99	J/mol×K	943.80	Joback Calculated Property
Cp,gas	912.66	J/mol×K	975.56	Joback Calculated Property
Cp,gas	922.46	J/mol×K	1007.32	Joback Calculated Property

Similar Compounds

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

Sources

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

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