Chemical Properties of Glutaric acid, propyl 2,3,6-trifluorobenzyl ester

InChI

InChI=1S/C15H17F3O4/c1-2-8-21-13(19)4-3-5-14(20)22-9-10-11(16)6-7-12(17)15(10)18/h6-7H,2-5,8-9H2,1H3

InChI Key

DTXBSMBYUBXPCW-UHFFFAOYSA-N

Formula

C15H17F3O4

SMILES

CCCOC(=O)CCCC(=O)OCc1c(F)ccc(F)c1F

Molecular Weight¹

318.29

• 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°	-893.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-1228.74	kJ/mol	Joback Calculated Property
ΔfusH°	42.29	kJ/mol	Joback Calculated Property
ΔvapH°	69.11	kJ/mol	Joback Calculated Property
log10WS	-4.42		Crippen Calculated Property
logPoct/wat	3.271		Crippen Calculated Property
McVol	218.640	ml/mol	McGowan Calculated Property
Pc	1714.61	kPa	Joback Calculated Property
Inp	[1944.00; 1944.00]
Inp	1944.00		NIST
Inp	1944.00		NIST
Tboil	734.61	K	Joback Calculated Property
Tc	921.00	K	Joback Calculated Property
Tfus	468.88	K	Joback Calculated Property
Vc	0.870	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[615.27; 681.82]	J/mol×K	[734.61; 921.00]
Cp,gas	615.27	J/mol×K	734.61	Joback Calculated Property
Cp,gas	628.26	J/mol×K	765.67	Joback Calculated Property
Cp,gas	640.50	J/mol×K	796.74	Joback Calculated Property
Cp,gas	651.97	J/mol×K	827.80	Joback Calculated Property
Cp,gas	662.68	J/mol×K	858.87	Joback Calculated Property
Cp,gas	672.63	J/mol×K	889.93	Joback Calculated Property
Cp,gas	681.82	J/mol×K	921.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, propyl 2,3,6-trifluorobenzyl ester.

Sources

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

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