Chemical Properties of Succinic acid, 2,2-dichloroethyl 2-fluoro-3-(trifluoromethyl)phenyl ester

InChI

InChI=1S/C13H10Cl2F4O4/c14-9(15)6-22-10(20)4-5-11(21)23-8-3-1-2-7(12(8)16)13(17,18)19/h1-3,9H,4-6H2

InChI Key

LZBXMPWNKXXAIC-UHFFFAOYSA-N

Formula

C13H10Cl2F4O4

SMILES

O=C(CCC(=O)Oc1cccc(C(F)(F)F)c1F)OCC(Cl)Cl

Molecular Weight¹

377.12

• 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	0.7692		Relay (1.0) Calculated Property
ΔfG°	-1118.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-1520.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.04	kJ/mol	Joback Calculated Property
ΔvapH°	85.94	kJ/mol	Relay (1.0) Calculated Property
IE	9.63	eV	Relay (1.0) Calculated Property
log10WS	-4.84		Relay (1.0) Calculated Property
logPoct/wat	3.877		Crippen Calculated Property
McVol	216.710	ml/mol	McGowan Calculated Property
Pc	1890.36	kPa	Joback Calculated Property
Inp	[1978.00; 1978.00]
Inp	1978.00		NIST
Inp	1978.00		NIST
Tboil	580.30	K	Relay (1.0) Calculated Property
Tc	786.81	K	Relay (1.0) Calculated Property
Tfus	339.27	K	Relay (1.0) Calculated Property
Vc	0.777	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[569.78; 619.37]	J/mol×K	[754.33; 953.47]
Cp,gas	569.78	J/mol×K	754.33	Joback Calculated Property
Cp,gas	579.94	J/mol×K	787.52	Joback Calculated Property
Cp,gas	589.32	J/mol×K	820.71	Joback Calculated Property
Cp,gas	597.93	J/mol×K	853.90	Joback Calculated Property
Cp,gas	605.79	J/mol×K	887.09	Joback Calculated Property
Cp,gas	612.93	J/mol×K	920.28	Joback Calculated Property
Cp,gas	619.37	J/mol×K	953.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,2-dichloroethyl 2-fluoro-3-(trifluoromethyl)phenyl ester.

Sources

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

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