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

InChI

InChI=1S/C17H11Cl2F3O4/c18-9-3-1-4-11(15(9)19)25-13(23)5-2-6-14(24)26-12-8-7-10(20)16(21)17(12)22/h1,3-4,7-8H,2,5-6H2

InChI Key

OEDRMJKIAVZHMC-UHFFFAOYSA-N

Formula

C17H11Cl2F3O4

SMILES

O=C(CCCC(=O)Oc1cccc(Cl)c1Cl)Oc1ccc(F)c(F)c1F

Molecular Weight¹

407.17

• 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	0.8842		Relay (... Calculated Property
ΔfG°	-807.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-1074.07	kJ/mol	Relay (... Calculated Property
ΔfusH°	49.13	kJ/mol	Joback Calculated Property
ΔvapH°	107.22	kJ/mol	Relay (... Calculated Property
IE	8.65	eV	Relay (... Calculated Property
log10WS	-6.42		Relay (... Calculated Property
logPoct/wat	5.092		Crippen Calculated Property
McVol	247.540	ml/mol	McGowan Calculated Property
Pc	1765.41	kPa	Joback Calculated Property
Inp	[2617.00; 2617.00]
Inp	2617.00		NIST
Inp	2617.00		NIST
Tboil	642.19	K	Relay (... Calculated Property
Tc	900.56	K	Relay (... Calculated Property
Tfus	342.34	K	Relay (... Calculated Property
Vc	0.902	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[672.20; 713.00]	J/mol×K	[891.87; 1111.76]
Cp,gas	672.20	J/mol×K	891.87	Joback Calculated Property
Cp,gas	681.60	J/mol×K	928.52	Joback Calculated Property
Cp,gas	689.94	J/mol×K	965.17	Joback Calculated Property
Cp,gas	697.25	J/mol×K	1001.82	Joback Calculated Property
Cp,gas	703.53	J/mol×K	1038.46	Joback Calculated Property
Cp,gas	708.77	J/mol×K	1075.11	Joback Calculated Property
Cp,gas	713.00	J/mol×K	1111.76	Joback Calculated Property

Similar Compounds

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

Sources

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

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