Chemical Properties of Glutaric acid, 2-chloro-6-fluorophenyl pentafluorophenyl ester

InChI

InChI=1S/C17H9ClF6O4/c18-7-3-1-4-8(19)16(7)27-9(25)5-2-6-10(26)28-17-14(23)12(21)11(20)13(22)15(17)24/h1,3-4H,2,5-6H2

InChI Key

MQBRQMXPKVCTCG-UHFFFAOYSA-N

Formula

C17H9ClF6O4

SMILES

O=C(CCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F)Oc1c(F)cccc1Cl

Molecular Weight¹

426.69

• 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	0.8970		Relay (1.0) Calculated Property
ΔfG°	-1398.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-1449.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.40	kJ/mol	Joback Calculated Property
ΔvapH°	99.94	kJ/mol	Relay (1.0) Calculated Property
IE	9.00	eV	Relay (1.0) Calculated Property
log10WS	-7.09		Relay (1.0) Calculated Property
logPoct/wat	4.856		Crippen Calculated Property
McVol	240.610	ml/mol	McGowan Calculated Property
Pc	1589.81	kPa	Joback Calculated Property
Inp	[2177.00; 2177.00]
Inp	2177.00		NIST
Inp	2177.00		NIST
Tboil	595.46	K	Relay (1.0) Calculated Property
Tc	847.43	K	Relay (1.0) Calculated Property
Tfus	350.03	K	Relay (1.0) Calculated Property
Vc	0.893	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[671.21; 713.83]	J/mol×K	[862.21; 1065.19]
Cp,gas	671.21	J/mol×K	862.21	Joback Calculated Property
Cp,gas	680.61	J/mol×K	896.04	Joback Calculated Property
Cp,gas	689.10	J/mol×K	929.87	Joback Calculated Property
Cp,gas	696.68	J/mol×K	963.70	Joback Calculated Property
Cp,gas	703.32	J/mol×K	997.53	Joback Calculated Property
Cp,gas	709.04	J/mol×K	1031.36	Joback Calculated Property
Cp,gas	713.83	J/mol×K	1065.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-chloro-6-fluorophenyl pentafluorophenyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.