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

InChI

InChI=1S/C17H14BrFO5/c1-22-15-10-11(18)6-7-14(15)24-17(21)9-8-16(20)23-13-5-3-2-4-12(13)19/h2-7,10H,8-9H2,1H3

InChI Key

VZWDQIXTSMSXOV-UHFFFAOYSA-N

Formula

C17H14BrFO5

SMILES

COc1cc(Br)ccc1OC(=O)CCC(=O)Oc1ccccc1F

Molecular Weight¹

397.19

• 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	0.8526		Relay (1.0) Calculated Property
ΔfG°	-465.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-811.48	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.83	kJ/mol	Joback Calculated Property
ΔvapH°	108.41	kJ/mol	Relay (1.0) Calculated Property
IE	8.14	eV	Relay (1.0) Calculated Property
log10WS	-4.96		Relay (1.0) Calculated Property
logPoct/wat	3.888		Crippen Calculated Property
McVol	242.890	ml/mol	McGowan Calculated Property
Pc	2195.89	kPa	Joback Calculated Property
Inp	[2711.00; 2711.00]
Inp	2711.00		NIST
Inp	2711.00		NIST
Tboil	657.54	K	Relay (1.0) Calculated Property
Tc	910.34	K	Relay (1.0) Calculated Property
Tfus	367.67	K	Relay (1.0) Calculated Property
Vc	0.875	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[674.83; 719.24]	J/mol×K	[897.09; 1129.79]
Cp,gas	674.83	J/mol×K	897.09	Joback Calculated Property
Cp,gas	685.29	J/mol×K	935.87	Joback Calculated Property
Cp,gas	694.52	J/mol×K	974.66	Joback Calculated Property
Cp,gas	702.52	J/mol×K	1013.44	Joback Calculated Property
Cp,gas	709.30	J/mol×K	1052.22	Joback Calculated Property
Cp,gas	714.87	J/mol×K	1091.00	Joback Calculated Property
Cp,gas	719.24	J/mol×K	1129.79	Joback Calculated Property

Similar Compounds

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

Sources

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

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