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

InChI

InChI=1S/C18H16BrFO4/c1-11-3-5-14(9-12(11)2)23-17(21)7-8-18(22)24-16-6-4-13(20)10-15(16)19/h3-6,9-10H,7-8H2,1-2H3

InChI Key

ZSPACVMSJPGHFR-UHFFFAOYSA-N

Formula

C18H16BrFO4

SMILES

Cc1ccc(OC(=O)CCC(=O)Oc2ccc(F)cc2Br)cc1C

Molecular Weight¹

395.22

• 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°	-361.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-647.05	kJ/mol	Joback Calculated Property
ΔfusH°	42.84	kJ/mol	Joback Calculated Property
ΔvapH°	86.79	kJ/mol	Joback Calculated Property
log10WS	-6.19		Crippen Calculated Property
logPoct/wat	4.496		Crippen Calculated Property
McVol	251.110	ml/mol	McGowan Calculated Property
Pc	2014.51	kPa	Joback Calculated Property
Inp	[2712.00; 2712.00]
Inp	2712.00		NIST
Inp	2712.00		NIST
Tboil	902.53	K	Joback Calculated Property
Tc	1135.19	K	Joback Calculated Property
Tfus	600.25	K	Joback Calculated Property
Vc	0.956	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[703.97; 754.11]	J/mol×K	[902.53; 1135.19]
Cp,gas	703.97	J/mol×K	902.53	Joback Calculated Property
Cp,gas	715.18	J/mol×K	941.31	Joback Calculated Property
Cp,gas	725.22	J/mol×K	980.08	Joback Calculated Property
Cp,gas	734.11	J/mol×K	1018.86	Joback Calculated Property
Cp,gas	741.87	J/mol×K	1057.63	Joback Calculated Property
Cp,gas	748.53	J/mol×K	1096.41	Joback Calculated Property
Cp,gas	754.11	J/mol×K	1135.19	Joback Calculated Property

Similar Compounds

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

Sources

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

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