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

InChI

InChI=1S/C19H25F3O4/c1-2-3-4-5-6-12-25-17(23)8-7-9-18(24)26-13-14-15(20)10-11-16(21)19(14)22/h10-11H,2-9,12-13H2,1H3

InChI Key

RFUWDKMDHKLLDC-UHFFFAOYSA-N

Formula

C19H25F3O4

SMILES

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

Molecular Weight¹

374.39

• 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°	-859.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-1311.30	kJ/mol	Joback Calculated Property
ΔfusH°	52.65	kJ/mol	Joback Calculated Property
ΔvapH°	78.01	kJ/mol	Joback Calculated Property
log10WS	-6.09		Crippen Calculated Property
logPoct/wat	4.831		Crippen Calculated Property
McVol	275.000	ml/mol	McGowan Calculated Property
Pc	1276.42	kPa	Joback Calculated Property
Inp	[2346.00; 2346.00]
Inp	2346.00		NIST
Inp	2346.00		NIST
Tboil	826.13	K	Joback Calculated Property
Tc	1016.34	K	Joback Calculated Property
Tfus	513.96	K	Joback Calculated Property
Vc	1.093	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[839.99; 913.09]	J/mol×K	[826.13; 1016.34]
Cp,gas	839.99	J/mol×K	826.13	Joback Calculated Property
Cp,gas	854.60	J/mol×K	857.83	Joback Calculated Property
Cp,gas	868.22	J/mol×K	889.53	Joback Calculated Property
Cp,gas	880.87	J/mol×K	921.23	Joback Calculated Property
Cp,gas	892.56	J/mol×K	952.94	Joback Calculated Property
Cp,gas	903.29	J/mol×K	984.64	Joback Calculated Property
Cp,gas	913.09	J/mol×K	1016.34	Joback Calculated Property

Similar Compounds

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

Sources

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

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