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

InChI

InChI=1S/C22H16BrFO4/c23-18-14-16(24)10-11-20(18)28-22(26)13-12-21(25)27-19-9-5-4-8-17(19)15-6-2-1-3-7-15/h1-11,14H,12-13H2

InChI Key

YFXDANIOBZWOBA-UHFFFAOYSA-N

Formula

C22H16BrFO4

SMILES

O=C(CCC(=O)Oc1ccccc1-c1ccccc1)Oc1ccc(F)cc1Br

Molecular Weight¹

443.26

• 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°	-205.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-481.61	kJ/mol	Joback Calculated Property
ΔfusH°	47.63	kJ/mol	Joback Calculated Property
ΔvapH°	97.31	kJ/mol	Joback Calculated Property
log10WS	-7.85		Crippen Calculated Property
logPoct/wat	5.546		Crippen Calculated Property
McVol	283.710	ml/mol	McGowan Calculated Property
Pc	1947.51	kPa	Joback Calculated Property
Inp	[3038.00; 3038.00]
Inp	3038.00		NIST
Inp	3038.00		NIST
Tboil	1015.75	K	Joback Calculated Property
Tc	1268.41	K	Joback Calculated Property
Tfus	659.23	K	Joback Calculated Property
Vc	1.071	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[824.68; 862.69]	J/mol×K	[1015.75; 1268.41]
Cp,gas	824.68	J/mol×K	1015.75	Joback Calculated Property
Cp,gas	834.07	J/mol×K	1057.86	Joback Calculated Property
Cp,gas	842.14	J/mol×K	1099.97	Joback Calculated Property
Cp,gas	848.96	J/mol×K	1142.08	Joback Calculated Property
Cp,gas	854.61	J/mol×K	1184.19	Joback Calculated Property
Cp,gas	859.16	J/mol×K	1226.30	Joback Calculated Property
Cp,gas	862.69	J/mol×K	1268.41	Joback Calculated Property

Similar Compounds

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

Sources

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

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