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

InChI

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

InChI Key

VMQPBOKBZGYPPN-UHFFFAOYSA-N

Formula

C18H18F8O4

SMILES

Cc1cccc(OC(=O)CCCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1C

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	0.8903		Relay (... Calculated Property
ΔfG°	-1826.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-2388.27	kJ/mol	Relay (... Calculated Property
ΔfusH°	40.09	kJ/mol	Joback Calculated Property
ΔvapH°	94.27	kJ/mol	Relay (... Calculated Property
IE	8.68	eV	Relay (... Calculated Property
log10WS	-6.01		Relay (... Calculated Property
logPoct/wat	5.093		Crippen Calculated Property
McVol	269.760	ml/mol	McGowan Calculated Property
Pc	1232.88	kPa	Joback Calculated Property
Inp	[2030.00; 2030.00]
Inp	2030.00		NIST
Inp	2030.00		NIST
Tboil	612.83	K	Relay (... Calculated Property
Tc	788.31	K	Relay (... Calculated Property
Tfus	335.88	K	Relay (... Calculated Property
Vc	1.002	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[826.70; 891.12]	J/mol×K	[784.49; 967.33]
Cp,gas	826.70	J/mol×K	784.49	Joback Calculated Property
Cp,gas	839.50	J/mol×K	814.96	Joback Calculated Property
Cp,gas	851.40	J/mol×K	845.44	Joback Calculated Property
Cp,gas	862.47	J/mol×K	875.91	Joback Calculated Property
Cp,gas	872.74	J/mol×K	906.38	Joback Calculated Property
Cp,gas	882.27	J/mol×K	936.86	Joback Calculated Property
Cp,gas	891.12	J/mol×K	967.33	Joback Calculated Property

Similar Compounds

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

Sources

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

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