Chemical Properties of Glutaric acid, 2-bromo-5-fluorobenzyl 2-methylhex-3-yl ester

InChI

InChI=1S/C19H26BrFO4/c1-4-6-17(13(2)3)25-19(23)8-5-7-18(22)24-12-14-11-15(21)9-10-16(14)20/h9-11,13,17H,4-8,12H2,1-3H3

InChI Key

KAZNWARUKOQVGU-UHFFFAOYSA-N

Formula

C19H26BrFO4

SMILES

CCCC(OC(=O)CCCC(=O)OCc1cc(F)ccc1Br)C(C)C

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	0.8760		Relay (1.0) Calculated Property
ΔfG°	-450.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-991.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.12	kJ/mol	Joback Calculated Property
ΔvapH°	99.94	kJ/mol	Relay (1.0) Calculated Property
IE	8.65	eV	Relay (1.0) Calculated Property
log10WS	-5.43		Relay (1.0) Calculated Property
logPoct/wat	5.170		Crippen Calculated Property
McVol	288.960	ml/mol	McGowan Calculated Property
Pc	1469.10	kPa	Joback Calculated Property
Inp	[2467.00; 2467.00]
Inp	2467.00		NIST
Inp	2467.00		NIST
Tboil	652.85	K	Relay (1.0) Calculated Property
Tc	831.97	K	Relay (1.0) Calculated Property
Tfus	295.33	K	Relay (1.0) Calculated Property
Vc	1.029	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[866.62; 933.78]	J/mol×K	[887.89; 1098.53]
Cp,gas	866.62	J/mol×K	887.89	Joback Calculated Property
Cp,gas	880.56	J/mol×K	923.00	Joback Calculated Property
Cp,gas	893.37	J/mol×K	958.10	Joback Calculated Property
Cp,gas	905.07	J/mol×K	993.21	Joback Calculated Property
Cp,gas	915.69	J/mol×K	1028.32	Joback Calculated Property
Cp,gas	925.25	J/mol×K	1063.43	Joback Calculated Property
Cp,gas	933.78	J/mol×K	1098.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-bromo-5-fluorobenzyl 2-methylhex-3-yl ester.

Sources

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

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