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

InChI

InChI=1S/C16H11F11O4/c17-7-4-5-8(12(19)11(7)18)31-10(29)3-1-2-9(28)30-6-14(22,23)16(26,27)15(24,25)13(20)21/h4-5,13H,1-3,6H2

InChI Key

DZCZUVZIGXUXOT-UHFFFAOYSA-N

Formula

C16H11F11O4

SMILES

O=C(CCCC(=O)Oc1ccc(F)c(F)c1F)OCC(F)(F)C(F)(F)C(F)(F)C(F)F

Molecular Weight¹

476.24

• 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	0.8867		Relay (... Calculated Property
ΔfG°	-2437.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-2793.37	kJ/mol	Relay (... Calculated Property
ΔfusH°	43.76	kJ/mol	Joback Calculated Property
ΔvapH°	90.68	kJ/mol	Relay (... Calculated Property
IE	9.46	eV	Relay (... Calculated Property
log10WS	-6.71		Relay (... Calculated Property
logPoct/wat	4.894		Crippen Calculated Property
McVol	246.890	ml/mol	McGowan Calculated Property
Pc	1270.06	kPa	Joback Calculated Property
Inp	[1794.00; 1794.00]
Inp	1794.00		NIST
Inp	1794.00		NIST
Tboil	572.41	K	Relay (... Calculated Property
Tc	738.53	K	Relay (... Calculated Property
Tfus	326.12	K	Relay (... Calculated Property
Vc	0.931	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[739.25; 794.92]	J/mol×K	[741.52; 912.56]
Cp,gas	739.25	J/mol×K	741.52	Joback Calculated Property
Cp,gas	750.32	J/mol×K	770.03	Joback Calculated Property
Cp,gas	760.61	J/mol×K	798.53	Joback Calculated Property
Cp,gas	770.19	J/mol×K	827.04	Joback Calculated Property
Cp,gas	779.07	J/mol×K	855.55	Joback Calculated Property
Cp,gas	787.30	J/mol×K	884.06	Joback Calculated Property
Cp,gas	794.92	J/mol×K	912.56	Joback Calculated Property

Similar Compounds

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

Sources

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

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