Chemical Properties of Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-fluoro-3-trifluoromethylphenyl ester

InChI

InChI=1S/C17H12F12O4/c18-12-8(16(25,26)27)3-1-4-9(12)33-11(31)6-2-5-10(30)32-7-14(21,22)17(28,29)15(23,24)13(19)20/h1,3-4,13H,2,5-7H2

InChI Key

JGLYBJYDMMQZJZ-UHFFFAOYSA-N

Formula

C17H12F12O4

SMILES

O=C(CCCC(=O)Oc1cccc(C(F)(F)F)c1F)OCC(F)(F)C(F)(F)C(F)(F)C(F)F

Molecular Weight¹

508.26

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.9045		Relay (... Calculated Property
ΔfG°	-2611.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-3107.58	kJ/mol	Relay (... Calculated Property
ΔfusH°	42.40	kJ/mol	Joback Calculated Property
ΔvapH°	90.87	kJ/mol	Relay (... Calculated Property
IE	9.44	eV	Relay (... Calculated Property
log10WS	-6.84		Relay (... Calculated Property
logPoct/wat	5.634		Crippen Calculated Property
McVol	262.750	ml/mol	McGowan Calculated Property
Pc	1178.47	kPa	Joback Calculated Property
Inp	[1792.00; 1792.00]
Inp	1792.00		NIST
Inp	1792.00		NIST
Tboil	589.14	K	Relay (... Calculated Property
Tc	760.63	K	Relay (... Calculated Property
Tfus	343.08	K	Relay (... Calculated Property
Vc	0.999	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[804.40; 861.01]	J/mol×K	[755.46; 928.14]
Cp,gas	804.40	J/mol×K	755.46	Joback Calculated Property
Cp,gas	815.72	J/mol×K	784.24	Joback Calculated Property
Cp,gas	826.21	J/mol×K	813.02	Joback Calculated Property
Cp,gas	835.93	J/mol×K	841.80	Joback Calculated Property
Cp,gas	844.93	J/mol×K	870.58	Joback Calculated Property
Cp,gas	853.27	J/mol×K	899.36	Joback Calculated Property
Cp,gas	861.01	J/mol×K	928.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-fluoro-3-trifluoromethylphenyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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