Chemical Properties of Succinic acid, 2,2-dichloroethyl 4-fluoro-2-methoxyphenyl ester

InChI

InChI=1S/C13H13Cl2FO5/c1-19-10-6-8(16)2-3-9(10)21-13(18)5-4-12(17)20-7-11(14)15/h2-3,6,11H,4-5,7H2,1H3

InChI Key

GJNUDBKKMAASDY-UHFFFAOYSA-N

Formula

C13H13Cl2FO5

SMILES

COc1cc(F)ccc1OC(=O)CCC(=O)OCC(Cl)Cl

Molecular Weight¹

339.14

• 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	0.8066		Relay (1.0) Calculated Property
ΔfG°	-642.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-1029.88	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.40	kJ/mol	Joback Calculated Property
ΔvapH°	94.13	kJ/mol	Relay (1.0) Calculated Property
IE	8.82	eV	Relay (1.0) Calculated Property
log10WS	-3.94		Relay (1.0) Calculated Property
logPoct/wat	2.867		Crippen Calculated Property
McVol	217.270	ml/mol	McGowan Calculated Property
Pc	2064.24	kPa	Joback Calculated Property
Inp	[2219.00; 2219.00]
Inp	2219.00		NIST
Inp	2219.00		NIST
Tboil	611.70	K	Relay (1.0) Calculated Property
Tc	829.48	K	Relay (1.0) Calculated Property
Tfus	343.26	K	Relay (1.0) Calculated Property
Vc	0.783	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[569.00; 621.82]	J/mol×K	[782.17; 992.42]
Cp,gas	569.00	J/mol×K	782.17	Joback Calculated Property
Cp,gas	580.11	J/mol×K	817.21	Joback Calculated Property
Cp,gas	590.30	J/mol×K	852.25	Joback Calculated Property
Cp,gas	599.58	J/mol×K	887.30	Joback Calculated Property
Cp,gas	607.94	J/mol×K	922.34	Joback Calculated Property
Cp,gas	615.35	J/mol×K	957.38	Joback Calculated Property
Cp,gas	621.82	J/mol×K	992.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,2-dichloroethyl 4-fluoro-2-methoxyphenyl ester.

Sources

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

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