Chemical Properties of Glutaric acid, 2-bromo-5-fluorobenzyl octyl ester

InChI

InChI=1S/C20H28BrFO4/c1-2-3-4-5-6-7-13-25-19(23)9-8-10-20(24)26-15-16-14-17(22)11-12-18(16)21/h11-12,14H,2-10,13,15H2,1H3

InChI Key

DJOXHFCDVWBFQQ-UHFFFAOYSA-N

Formula

C20H28BrFO4

SMILES

CCCCCCCCOC(=O)CCCC(=O)OCc1cc(F)ccc1Br

Molecular Weight¹

431.34

• 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°	-437.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-901.92	kJ/mol	Joback Calculated Property
ΔfusH°	54.76	kJ/mol	Joback Calculated Property
ΔvapH°	87.64	kJ/mol	Joback Calculated Property
log10WS	-7.01		Crippen Calculated Property
logPoct/wat	5.705		Crippen Calculated Property
McVol	303.050	ml/mol	McGowan Calculated Property
Pc	1350.65	kPa	Joback Calculated Property
Inp	[2719.00; 2719.00]
Inp	2719.00		NIST
Inp	2719.00		NIST
Tboil	911.65	K	Joback Calculated Property
Tc	1120.89	K	Joback Calculated Property
Tfus	571.33	K	Joback Calculated Property
Vc	1.175	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[924.33; 992.22]	J/mol×K	[911.65; 1120.89]
Cp,gas	924.33	J/mol×K	911.65	Joback Calculated Property
Cp,gas	938.37	J/mol×K	946.52	Joback Calculated Property
Cp,gas	951.28	J/mol×K	981.40	Joback Calculated Property
Cp,gas	963.10	J/mol×K	1016.27	Joback Calculated Property
Cp,gas	973.84	J/mol×K	1051.14	Joback Calculated Property
Cp,gas	983.54	J/mol×K	1086.02	Joback Calculated Property
Cp,gas	992.22	J/mol×K	1120.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-bromo-5-fluorobenzyl octyl ester.

Sources

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

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