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

InChI

InChI=1S/C19H26BrFO4/c1-3-5-7-14(4-2)13-24-18(22)8-6-9-19(23)25-17-11-10-15(21)12-16(17)20/h10-12,14H,3-9,13H2,1-2H3

InChI Key

XVOUPLFDTFLFAW-UHFFFAOYSA-N

Formula

C19H26BrFO4

SMILES

CCCCC(CC)COC(=O)CCCC(=O)Oc1ccc(F)cc1Br

Molecular Weight¹

417.31

• 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	0.9345		Relay (... Calculated Property
ΔfG°	-448.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-995.35	kJ/mol	Relay (... Calculated Property
ΔfusH°	48.64	kJ/mol	Joback Calculated Property
ΔvapH°	101.34	kJ/mol	Relay (... Calculated Property
IE	8.51	eV	Relay (... Calculated Property
log10WS	-6.03		Relay (... Calculated Property
logPoct/wat	5.423		Crippen Calculated Property
McVol	288.960	ml/mol	McGowan Calculated Property
Pc	1460.13	kPa	Joback Calculated Property
Inp	[2488.00; 2488.00]
Inp	2488.00		NIST
Inp	2488.00		NIST
Tboil	647.47	K	Relay (... Calculated Property
Tc	842.78	K	Relay (... Calculated Property
Tfus	267.94	K	Relay (... Calculated Property
Vc	1.032	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[866.10; 933.20]	J/mol×K	[888.33; 1097.32]
Cp,gas	866.10	J/mol×K	888.33	Joback Calculated Property
Cp,gas	879.96	J/mol×K	923.16	Joback Calculated Property
Cp,gas	892.72	J/mol×K	957.99	Joback Calculated Property
Cp,gas	904.39	J/mol×K	992.82	Joback Calculated Property
Cp,gas	915.02	J/mol×K	1027.65	Joback Calculated Property
Cp,gas	924.61	J/mol×K	1062.49	Joback Calculated Property
Cp,gas	933.20	J/mol×K	1097.32	Joback Calculated Property

Similar Compounds

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

Sources

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

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