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

InChI

InChI=1S/C25H38BrFO4/c1-2-3-4-5-6-7-8-9-10-11-12-18-30-24(28)14-13-15-25(29)31-20-21-19-22(27)16-17-23(21)26/h16-17,19H,2-15,18,20H2,1H3

InChI Key

GCAXNPDPZPXQNK-UHFFFAOYSA-N

Formula

C25H38BrFO4

SMILES

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

Molecular Weight¹

501.47

• 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°	-395.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-1005.12	kJ/mol	Joback Calculated Property
ΔfusH°	67.71	kJ/mol	Joback Calculated Property
ΔvapH°	98.77	kJ/mol	Joback Calculated Property
log10WS	-9.11		Crippen Calculated Property
logPoct/wat	7.656		Crippen Calculated Property
McVol	373.500	ml/mol	McGowan Calculated Property
Pc	975.95	kPa	Joback Calculated Property
Inp	[3237.00; 3237.00]
Inp	3237.00		NIST
Inp	3237.00		NIST
Tboil	1026.05	K	Joback Calculated Property
Tc	1258.11	K	Joback Calculated Property
Tfus	627.68	K	Joback Calculated Property
Vc	1.456	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1226.96; 1298.13]	J/mol×K	[1026.05; 1258.11]
Cp,gas	1226.96	J/mol×K	1026.05	Joback Calculated Property
Cp,gas	1242.40	J/mol×K	1064.73	Joback Calculated Property
Cp,gas	1256.33	J/mol×K	1103.40	Joback Calculated Property
Cp,gas	1268.81	J/mol×K	1142.08	Joback Calculated Property
Cp,gas	1279.90	J/mol×K	1180.76	Joback Calculated Property
Cp,gas	1289.65	J/mol×K	1219.44	Joback Calculated Property
Cp,gas	1298.13	J/mol×K	1258.11	Joback Calculated Property

Similar Compounds

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

Sources

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

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