Chemical Properties of Glutaric acid, 2,2,2-triluoroethyl heptyl ester

InChI

InChI=1S/C14H23F3O4/c1-2-3-4-5-6-10-20-12(18)8-7-9-13(19)21-11-14(15,16)17/h2-11H2,1H3

InChI Key

APGQYKVUIAMGJX-UHFFFAOYSA-N

Formula

C14H23F3O4

SMILES

CCCCCCCOC(=O)CCCC(=O)OCC(F)(F)F

Molecular Weight¹

312.33

• 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°	-982.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-1418.97	kJ/mol	Joback Calculated Property
ΔfusH°	39.42	kJ/mol	Joback Calculated Property
ΔvapH°	61.32	kJ/mol	Joback Calculated Property
log10WS	-4.07		Crippen Calculated Property
logPoct/wat	3.776		Crippen Calculated Property
McVol	228.310	ml/mol	McGowan Calculated Property
Pc	1495.35	kPa	Joback Calculated Property
Inp	[1633.00; 1633.00]
Inp	1633.00		NIST
Inp	1633.00		NIST
Tboil	666.88	K	Joback Calculated Property
Tc	833.64	K	Joback Calculated Property
Tfus	396.05	K	Joback Calculated Property
Vc	0.910	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[648.52; 725.33]	J/mol×K	[666.88; 833.64]
Cp,gas	648.52	J/mol×K	666.88	Joback Calculated Property
Cp,gas	663.04	J/mol×K	694.67	Joback Calculated Property
Cp,gas	676.85	J/mol×K	722.47	Joback Calculated Property
Cp,gas	689.97	J/mol×K	750.26	Joback Calculated Property
Cp,gas	702.41	J/mol×K	778.06	Joback Calculated Property
Cp,gas	714.19	J/mol×K	805.85	Joback Calculated Property
Cp,gas	725.33	J/mol×K	833.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2,2-triluoroethyl heptyl ester.

Sources

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

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