Chemical Properties of Glutaric acid, 2-fluorophenyl 2,2,3,4,4,4-hexafluorobutyl ester

InChI

InChI=1S/C15H13F7O4/c16-9-4-1-2-5-10(9)26-12(24)7-3-6-11(23)25-8-14(18,19)13(17)15(20,21)22/h1-2,4-5,13H,3,6-8H2

InChI Key

DOQLZDCHDSRDQW-UHFFFAOYSA-N

Formula

C15H13F7O4

SMILES

O=C(CCCC(=O)Oc1ccccc1F)OCC(F)(F)C(F)C(F)(F)F

Molecular Weight¹

390.25

• 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°	-1650.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-2013.02	kJ/mol	Joback Calculated Property
ΔfusH°	37.04	kJ/mol	Joback Calculated Property
ΔvapH°	61.53	kJ/mol	Joback Calculated Property
log10WS	-4.85		Crippen Calculated Property
logPoct/wat	3.980		Crippen Calculated Property
McVol	225.720	ml/mol	McGowan Calculated Property
Pc	1575.95	kPa	Joback Calculated Property
Inp	[1735.00; 1735.00]
Inp	1735.00		NIST
Inp	1735.00		NIST
Tboil	714.83	K	Joback Calculated Property
Tc	893.18	K	Joback Calculated Property
Tfus	436.04	K	Joback Calculated Property
Vc	0.913	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[654.06; 714.78]	J/mol×K	[714.83; 893.18]
Cp,gas	654.06	J/mol×K	714.83	Joback Calculated Property
Cp,gas	666.10	J/mol×K	744.56	Joback Calculated Property
Cp,gas	677.33	J/mol×K	774.28	Joback Calculated Property
Cp,gas	687.77	J/mol×K	804.01	Joback Calculated Property
Cp,gas	697.47	J/mol×K	833.73	Joback Calculated Property
Cp,gas	706.46	J/mol×K	863.46	Joback Calculated Property
Cp,gas	714.78	J/mol×K	893.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-fluorophenyl 2,2,3,4,4,4-hexafluorobutyl ester.

Sources

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

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