Chemical Properties of Glutaric acid, 2-chloro-6-fluorophenyl pentadecyl ester

InChI

InChI=1S/C26H40ClFO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-31-24(29)19-16-20-25(30)32-26-22(27)17-15-18-23(26)28/h15,17-18H,2-14,16,19-21H2,1H3

InChI Key

GNOJNTRUXSJBNM-UHFFFAOYSA-N

Formula

C26H40ClFO4

SMILES

CCCCCCCCCCCCCCCOC(=O)CCCC(=O)Oc1c(F)cccc1Cl

Molecular Weight¹

471.05

• 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°	-413.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-1067.83	kJ/mol	Joback Calculated Property
ΔfusH°	69.21	kJ/mol	Joback Calculated Property
ΔvapH°	98.95	kJ/mol	Joback Calculated Property
log10WS	-9.20		Crippen Calculated Property
logPoct/wat	8.189		Crippen Calculated Property
McVol	382.330	ml/mol	McGowan Calculated Property
Pc	863.53	kPa	Joback Calculated Property
Inp	[3248.00; 3248.00]
Inp	3248.00		NIST
Inp	3248.00		NIST
Tboil	1020.20	K	Joback Calculated Property
Tc	1253.10	K	Joback Calculated Property
Tfus	609.07	K	Joback Calculated Property
Vc	1.498	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1275.61; 1349.27]	J/mol×K	[1020.20; 1253.10]
Cp,gas	1275.61	J/mol×K	1020.20	Joback Calculated Property
Cp,gas	1291.87	J/mol×K	1059.02	Joback Calculated Property
Cp,gas	1306.47	J/mol×K	1097.83	Joback Calculated Property
Cp,gas	1319.45	J/mol×K	1136.65	Joback Calculated Property
Cp,gas	1330.87	J/mol×K	1175.46	Joback Calculated Property
Cp,gas	1340.79	J/mol×K	1214.28	Joback Calculated Property
Cp,gas	1349.27	J/mol×K	1253.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-chloro-6-fluorophenyl pentadecyl ester.

Sources

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

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