Chemical Properties of Glutaric acid, 2,3-dichlorophenyl 2-bromo-4-fluorophenyl ester

InChI

InChI=1S/C17H12BrCl2FO4/c18-11-9-10(21)7-8-13(11)24-15(22)5-2-6-16(23)25-14-4-1-3-12(19)17(14)20/h1,3-4,7-9H,2,5-6H2

InChI Key

PMJDZFFGIJBJAU-UHFFFAOYSA-N

Formula

C17H12BrCl2FO4

SMILES

O=C(CCCC(=O)Oc1cccc(Cl)c1Cl)Oc1ccc(F)cc1Br

Molecular Weight¹

450.08

• 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°	-393.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-657.89	kJ/mol	Joback Calculated Property
ΔfusH°	48.65	kJ/mol	Joback Calculated Property
ΔvapH°	93.34	kJ/mol	Joback Calculated Property
log10WS	-7.03		Crippen Calculated Property
logPoct/wat	5.576		Crippen Calculated Property
McVol	261.500	ml/mol	McGowan Calculated Property
Pc	2054.89	kPa	Joback Calculated Property
Inp	[2935.00; 2935.00]
Inp	2935.00		NIST
Inp	2935.00		NIST
Tboil	954.51	K	Joback Calculated Property
Tc	1195.58	K	Joback Calculated Property
Tfus	648.82	K	Joback Calculated Property
Vc	0.998	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[685.38; 719.88]	J/mol×K	[954.51; 1195.58]
Cp,gas	685.38	J/mol×K	954.51	Joback Calculated Property
Cp,gas	693.85	J/mol×K	994.69	Joback Calculated Property
Cp,gas	701.19	J/mol×K	1034.87	Joback Calculated Property
Cp,gas	707.43	J/mol×K	1075.05	Joback Calculated Property
Cp,gas	712.61	J/mol×K	1115.22	Joback Calculated Property
Cp,gas	716.75	J/mol×K	1155.40	Joback Calculated Property
Cp,gas	719.88	J/mol×K	1195.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,3-dichlorophenyl 2-bromo-4-fluorophenyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.