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

InChI

InChI=1S/C13H11Cl2F3O4/c14-9(15)6-21-10(19)2-1-3-11(20)22-8-5-4-7(16)12(17)13(8)18/h4-5,9H,1-3,6H2

InChI Key

SXMJYYMYZPJEHY-UHFFFAOYSA-N

Formula

C13H11Cl2F3O4

SMILES

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

Molecular Weight¹

359.12

• 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	0.8058		Relay (1.0) Calculated Property
ΔfG°	-936.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-1217.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.98	kJ/mol	Joback Calculated Property
ΔvapH°	90.84	kJ/mol	Relay (1.0) Calculated Property
IE	9.45	eV	Relay (1.0) Calculated Property
log10WS	-4.91		Relay (1.0) Calculated Property
logPoct/wat	3.526		Crippen Calculated Property
McVol	214.940	ml/mol	McGowan Calculated Property
Pc	1908.57	kPa	Joback Calculated Property
Inp	[2063.00; 2063.00]
Inp	2063.00		NIST
Inp	2063.00		NIST
Tboil	587.34	K	Relay (1.0) Calculated Property
Tc	793.24	K	Relay (1.0) Calculated Property
Tfus	321.12	K	Relay (1.0) Calculated Property
Vc	0.774	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[558.00; 609.04]	J/mol×K	[763.27; 962.03]
Cp,gas	558.00	J/mol×K	763.27	Joback Calculated Property
Cp,gas	568.40	J/mol×K	796.40	Joback Calculated Property
Cp,gas	578.04	J/mol×K	829.52	Joback Calculated Property
Cp,gas	586.93	J/mol×K	862.65	Joback Calculated Property
Cp,gas	595.06	J/mol×K	895.78	Joback Calculated Property
Cp,gas	602.43	J/mol×K	928.90	Joback Calculated Property
Cp,gas	609.04	J/mol×K	962.03	Joback Calculated Property

Similar Compounds

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

Sources

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

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