Chemical Properties of Succinic acid, 2-chlorophenyl 3-fluorophenyl ester

InChI

InChI=1S/C16H12ClFO4/c17-13-6-1-2-7-14(13)22-16(20)9-8-15(19)21-12-5-3-4-11(18)10-12/h1-7,10H,8-9H2

InChI Key

UIKIOBKKIHUNBZ-UHFFFAOYSA-N

Formula

C16H12ClFO4

SMILES

O=C(CCC(=O)Oc1ccccc1Cl)Oc1cccc(F)c1

Molecular Weight¹

322.71

• 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	0.7657		Relay (1.0) Calculated Property
ΔfG°	-385.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-722.30	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.35	kJ/mol	Joback Calculated Property
ΔvapH°	101.49	kJ/mol	Relay (1.0) Calculated Property
IE	8.48	eV	Relay (1.0) Calculated Property
log10WS	-4.90		Relay (1.0) Calculated Property
logPoct/wat	3.770		Crippen Calculated Property
McVol	217.670	ml/mol	McGowan Calculated Property
Pc	2241.88	kPa	Joback Calculated Property
Inp	[2361.00; 2361.00]
Inp	2361.00		NIST
Inp	2361.00		NIST
Tboil	621.35	K	Relay (1.0) Calculated Property
Tc	890.22	K	Relay (1.0) Calculated Property
Tfus	339.45	K	Relay (1.0) Calculated Property
Vc	0.797	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[587.19; 639.93]	J/mol×K	[818.08; 1048.23]
Cp,gas	587.19	J/mol×K	818.08	Joback Calculated Property
Cp,gas	598.70	J/mol×K	856.44	Joback Calculated Property
Cp,gas	609.08	J/mol×K	894.80	Joback Calculated Property
Cp,gas	618.38	J/mol×K	933.15	Joback Calculated Property
Cp,gas	626.60	J/mol×K	971.51	Joback Calculated Property
Cp,gas	633.78	J/mol×K	1009.87	Joback Calculated Property
Cp,gas	639.93	J/mol×K	1048.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-chlorophenyl 3-fluorophenyl ester.

Sources

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

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