Chemical Properties of Succinic acid, 4-chloro-3-methylphenyl 2-bromo-4-fluorophenyl ester

InChI

InChI=1S/C17H13BrClFO4/c1-10-8-12(3-4-14(10)19)23-16(21)6-7-17(22)24-15-5-2-11(20)9-13(15)18/h2-5,8-9H,6-7H2,1H3

InChI Key

WIBQJAOJFTZDPY-UHFFFAOYSA-N

Formula

C17H13BrClFO4

SMILES

Cc1cc(OC(=O)CCC(=O)Oc2ccc(F)cc2Br)ccc1Cl

Molecular Weight¹

415.64

• 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°	-381.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-642.15	kJ/mol	Joback Calculated Property
ΔfusH°	44.45	kJ/mol	Joback Calculated Property
ΔvapH°	88.95	kJ/mol	Joback Calculated Property
log10WS	-6.40		Crippen Calculated Property
logPoct/wat	4.841		Crippen Calculated Property
McVol	249.260	ml/mol	McGowan Calculated Property
Pc	2125.60	kPa	Joback Calculated Property
Inp	[2758.00; 2758.00]
Inp	2758.00		NIST
Inp	2758.00		NIST
Tboil	917.08	K	Joback Calculated Property
Tc	1155.05	K	Joback Calculated Property
Tfus	618.90	K	Joback Calculated Property
Vc	0.949	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[667.57; 709.35]	J/mol×K	[917.08; 1155.05]
Cp,gas	667.57	J/mol×K	917.08	Joback Calculated Property
Cp,gas	677.30	J/mol×K	956.74	Joback Calculated Property
Cp,gas	685.89	J/mol×K	996.40	Joback Calculated Property
Cp,gas	693.36	J/mol×K	1036.06	Joback Calculated Property
Cp,gas	699.75	J/mol×K	1075.73	Joback Calculated Property
Cp,gas	705.07	J/mol×K	1115.39	Joback Calculated Property
Cp,gas	709.35	J/mol×K	1155.05	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 4-chloro-3-methylphenyl 2-bromo-4-fluorophenyl ester.

Sources

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

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