Chemical Properties of Glutaric acid, 2,2-dichloroethyl 3-fluorophenyl ester

InChI

InChI=1S/C13H13Cl2FO4/c14-11(15)8-19-12(17)5-2-6-13(18)20-10-4-1-3-9(16)7-10/h1,3-4,7,11H,2,5-6,8H2

InChI Key

RBVOOMBGJLLALY-UHFFFAOYSA-N

Formula

C13H13Cl2FO4

SMILES

O=C(CCCC(=O)Oc1cccc(F)c1)OCC(Cl)Cl

Molecular Weight¹

323.14

• 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	0.7707		Relay (... Calculated Property
ΔfG°	-527.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-914.14	kJ/mol	Relay (... Calculated Property
ΔfusH°	36.60	kJ/mol	Joback Calculated Property
ΔvapH°	91.71	kJ/mol	Relay (... Calculated Property
IE	9.27	eV	Relay (... Calculated Property
log10WS	-4.19		Relay (... Calculated Property
logPoct/wat	3.248		Crippen Calculated Property
McVol	211.400	ml/mol	McGowan Calculated Property
Pc	2125.60	kPa	Joback Calculated Property
Inp	[2101.00; 2101.00]
Inp	2101.00		NIST
Inp	2101.00		NIST
Tboil	607.35	K	Relay (... Calculated Property
Tc	820.57	K	Relay (... Calculated Property
Tfus	320.43	K	Relay (... Calculated Property
Vc	0.758	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[545.34; 601.36]	J/mol×K	[754.77; 965.56]
Cp,gas	545.34	J/mol×K	754.77	Joback Calculated Property
Cp,gas	556.83	J/mol×K	789.90	Joback Calculated Property
Cp,gas	567.45	J/mol×K	825.03	Joback Calculated Property
Cp,gas	577.20	J/mol×K	860.17	Joback Calculated Property
Cp,gas	586.09	J/mol×K	895.30	Joback Calculated Property
Cp,gas	594.15	J/mol×K	930.43	Joback Calculated Property
Cp,gas	601.36	J/mol×K	965.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2-dichloroethyl 3-fluorophenyl ester.

Sources

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

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