Chemical Properties of Glutaric acid, 2-fluorophenyl 4-bromophenyl ester

InChI

InChI=1S/C17H14BrFO4/c18-12-8-10-13(11-9-12)22-16(20)6-3-7-17(21)23-15-5-2-1-4-14(15)19/h1-2,4-5,8-11H,3,6-7H2

InChI Key

GWMHGJJTTLXEKE-UHFFFAOYSA-N

Formula

C17H14BrFO4

SMILES

O=C(CCCC(=O)Oc1ccccc1F)Oc1ccc(Br)cc1

Molecular Weight¹

381.19

• 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°	-350.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-603.47	kJ/mol	Joback Calculated Property
ΔfusH°	41.03	kJ/mol	Joback Calculated Property
ΔvapH°	83.24	kJ/mol	Joback Calculated Property
log10WS	-5.66		Crippen Calculated Property
logPoct/wat	4.269		Crippen Calculated Property
McVol	237.020	ml/mol	McGowan Calculated Property
Pc	2263.26	kPa	Joback Calculated Property
Inp	[2634.00; 2634.00]
Inp	2634.00		NIST
Inp	2634.00		NIST
Tboil	869.69	K	Joback Calculated Property
Tc	1103.32	K	Joback Calculated Property
Tfus	563.94	K	Joback Calculated Property
Vc	0.899	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[651.35; 702.26]	J/mol×K	[869.69; 1103.32]
Cp,gas	651.35	J/mol×K	869.69	Joback Calculated Property
Cp,gas	662.54	J/mol×K	908.63	Joback Calculated Property
Cp,gas	672.60	J/mol×K	947.57	Joback Calculated Property
Cp,gas	681.57	J/mol×K	986.51	Joback Calculated Property
Cp,gas	689.47	J/mol×K	1025.45	Joback Calculated Property
Cp,gas	696.36	J/mol×K	1064.39	Joback Calculated Property
Cp,gas	702.26	J/mol×K	1103.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-fluorophenyl 4-bromophenyl ester.

Sources

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

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