Chemical Properties of Glutaric acid, 2,3-dichlorophenyl pentafluorobenzyl ester

InChI

InChI=1S/C18H11Cl2F5O4/c19-9-3-1-4-10(13(9)20)29-12(27)6-2-5-11(26)28-7-8-14(21)16(23)18(25)17(24)15(8)22/h1,3-4H,2,5-7H2

InChI Key

QKJKMMQWMZNQBV-UHFFFAOYSA-N

Formula

C18H11Cl2F5O4

SMILES

O=C(CCCC(=O)Oc1cccc(Cl)c1Cl)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

457.18

• 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	0.9365		Relay (1.0) Calculated Property
ΔfG°	-1207.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-1373.69	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	57.10	kJ/mol	Joback Calculated Property
ΔvapH°	108.13	kJ/mol	Relay (1.0) Calculated Property
IE	8.83	eV	Relay (1.0) Calculated Property
log10WS	-7.54		Relay (1.0) Calculated Property
logPoct/wat	5.508		Crippen Calculated Property
McVol	265.170	ml/mol	McGowan Calculated Property
Pc	1483.85	kPa	Joback Calculated Property
Inp	[2595.00; 2595.00]
Inp	2595.00		NIST
Inp	2595.00		NIST
Tboil	653.12	K	Relay (1.0) Calculated Property
Tc	887.50	K	Relay (1.0) Calculated Property
Tfus	347.69	K	Relay (1.0) Calculated Property
Vc	0.967	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[738.76; 776.08]	J/mol×K	[923.25; 1136.66]
Cp,gas	738.76	J/mol×K	923.25	Joback Calculated Property
Cp,gas	747.62	J/mol×K	958.82	Joback Calculated Property
Cp,gas	755.43	J/mol×K	994.39	Joback Calculated Property
Cp,gas	762.18	J/mol×K	1029.95	Joback Calculated Property
Cp,gas	767.87	J/mol×K	1065.52	Joback Calculated Property
Cp,gas	772.50	J/mol×K	1101.09	Joback Calculated Property
Cp,gas	776.08	J/mol×K	1136.66	Joback Calculated Property

Similar Compounds

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

Sources

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

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