Chemical Properties of Succinic acid, 2-fluorophenyl 2,2,2-trichloroethyl ester

InChI

InChI=1S/C12H10Cl3FO4/c13-12(14,15)7-19-10(17)5-6-11(18)20-9-4-2-1-3-8(9)16/h1-4H,5-7H2

InChI Key

QVWVXTQTBISWHF-UHFFFAOYSA-N

Formula

C12H10Cl3FO4

SMILES

O=C(CCC(=O)Oc1ccccc1F)OCC(Cl)(Cl)Cl

Molecular Weight¹

343.56

• 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	0.6852		Relay (1.0) Calculated Property
ΔfG°	-542.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-870.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.32	kJ/mol	Joback Calculated Property
ΔvapH°	89.17	kJ/mol	Relay (1.0) Calculated Property
IE	9.39	eV	Relay (1.0) Calculated Property
log10WS	-4.75		Relay (1.0) Calculated Property
logPoct/wat	3.425		Crippen Calculated Property
McVol	209.550	ml/mol	McGowan Calculated Property
Pc	2269.73	kPa	Joback Calculated Property
Inp	[2070.00; 2070.00]
Inp	2070.00		NIST
Inp	2070.00		NIST
Tboil	588.48	K	Relay (1.0) Calculated Property
Tc	820.06	K	Relay (1.0) Calculated Property
Tfus	361.47	K	Relay (1.0) Calculated Property
Vc	0.745	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[516.80; 563.74]	J/mol×K	[766.53; 989.61]
Cp,gas	516.80	J/mol×K	766.53	Joback Calculated Property
Cp,gas	526.73	J/mol×K	803.71	Joback Calculated Property
Cp,gas	535.77	J/mol×K	840.89	Joback Calculated Property
Cp,gas	543.96	J/mol×K	878.07	Joback Calculated Property
Cp,gas	551.33	J/mol×K	915.25	Joback Calculated Property
Cp,gas	557.91	J/mol×K	952.43	Joback Calculated Property
Cp,gas	563.74	J/mol×K	989.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-fluorophenyl 2,2,2-trichloroethyl ester.

Sources

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

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