Chemical Properties of Glutaric acid, hept-2-yl 2,2,3,4,4,4-hexafluorobutyl ester

InChI

InChI=1S/C16H24F6O4/c1-3-4-5-7-11(2)26-13(24)9-6-8-12(23)25-10-15(18,19)14(17)16(20,21)22/h11,14H,3-10H2,1-2H3

InChI Key

FDLCYYMCNAIKID-UHFFFAOYSA-N

Formula

C16H24F6O4

SMILES

CCCCCC(C)OC(=O)CCCC(=O)OCC(F)(F)C(F)C(F)(F)F

Molecular Weight¹

394.35

• 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°	-1552.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-2067.89	kJ/mol	Joback Calculated Property
ΔfusH°	39.38	kJ/mol	Joback Calculated Property
ΔvapH°	61.25	kJ/mol	Joback Calculated Property
log10WS	-5.30		Crippen Calculated Property
logPoct/wat	4.748		Crippen Calculated Property
McVol	261.800	ml/mol	McGowan Calculated Property
Pc	1207.31	kPa	Joback Calculated Property
Inp	[1646.00; 1646.00]
Inp	1646.00		NIST
Inp	1646.00		NIST
Tboil	706.34	K	Joback Calculated Property
Tc	871.71	K	Joback Calculated Property
Tfus	392.78	K	Joback Calculated Property
Vc	1.054	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[785.51; 863.01]	J/mol×K	[706.34; 871.71]
Cp,gas	785.51	J/mol×K	706.34	Joback Calculated Property
Cp,gas	800.36	J/mol×K	733.90	Joback Calculated Property
Cp,gas	814.40	J/mol×K	761.46	Joback Calculated Property
Cp,gas	827.65	J/mol×K	789.02	Joback Calculated Property
Cp,gas	840.16	J/mol×K	816.59	Joback Calculated Property
Cp,gas	851.93	J/mol×K	844.15	Joback Calculated Property
Cp,gas	863.01	J/mol×K	871.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, hept-2-yl 2,2,3,4,4,4-hexafluorobutyl ester.

Sources

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

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