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

InChI

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

InChI Key

IFBLMKGLSBBYNM-UHFFFAOYSA-N

Formula

C16H12ClFO4

SMILES

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

Molecular Weight¹

322.71

• 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).
• 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
ΔfG°	-385.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-624.90	kJ/mol	Joback Calculated Property
ΔfusH°	37.35	kJ/mol	Joback Calculated Property
ΔvapH°	78.97	kJ/mol	Joback Calculated Property
log10WS	-4.76		Crippen 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	[2305.00; 2305.00]
Inp	2305.00		NIST
Inp	2305.00		NIST
Tboil	818.08	K	Joback Calculated Property
Tc	1048.23	K	Joback Calculated Property
Tfus	522.79	K	Joback Calculated Property
Vc	0.831	m3/kmol	Joback 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, 3-chlorophenyl 3-fluorophenyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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