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

InChI

InChI=1S/C18H18F8O4/c1-2-11-5-3-6-12(9-11)30-14(28)8-4-7-13(27)29-10-16(21,22)18(25,26)17(23,24)15(19)20/h3,5-6,9,15H,2,4,7-8,10H2,1H3

InChI Key

KVISUVXQSMLPLZ-UHFFFAOYSA-N

Formula

C18H18F8O4

SMILES

CCc1cccc(OC(=O)CCCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1

Molecular Weight¹

450.32

• 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	0.9048		Relay (1.0) Calculated Property
ΔfG°	-1816.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-2373.60	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.48	kJ/mol	Joback Calculated Property
ΔvapH°	93.29	kJ/mol	Relay (1.0) Calculated Property
IE	8.90	eV	Relay (1.0) Calculated Property
log10WS	-6.27		Relay (1.0) Calculated Property
logPoct/wat	5.039		Crippen Calculated Property
McVol	269.760	ml/mol	McGowan Calculated Property
Pc	1245.97	kPa	Joback Calculated Property
Inp	[1992.00; 1992.00]
Inp	1992.00		NIST
Inp	1992.00		NIST
Tboil	611.22	K	Relay (1.0) Calculated Property
Tc	775.10	K	Relay (1.0) Calculated Property
Tfus	302.19	K	Relay (1.0) Calculated Property
Vc	1.002	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[827.64; 892.50]	J/mol×K	[779.51; 961.43]
Cp,gas	827.64	J/mol×K	779.51	Joback Calculated Property
Cp,gas	840.54	J/mol×K	809.83	Joback Calculated Property
Cp,gas	852.52	J/mol×K	840.15	Joback Calculated Property
Cp,gas	863.65	J/mol×K	870.47	Joback Calculated Property
Cp,gas	873.99	J/mol×K	900.79	Joback Calculated Property
Cp,gas	883.59	J/mol×K	931.11	Joback Calculated Property
Cp,gas	892.50	J/mol×K	961.43	Joback Calculated Property

Similar Compounds

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

Sources

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

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