Chemical Properties of Glutaric acid, 3-methylbut-2-en-1-yl 2,2,3,4,4,4-hexafluorobutyl ester

InChI

InChI=1S/C14H18F6O4/c1-9(2)6-7-23-10(21)4-3-5-11(22)24-8-13(16,17)12(15)14(18,19)20/h6,12H,3-5,7-8H2,1-2H3

InChI Key

HWADNWRUFGLELM-UHFFFAOYSA-N

Formula

C14H18F6O4

SMILES

CC(C)=CCOC(=O)CCCC(=O)OCC(F)(F)C(F)C(F)(F)F

Molecular Weight¹

364.28

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.7347		Relay (... Calculated Property
ΔfG°	-1494.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-2102.35	kJ/mol	Relay (... Calculated Property
ΔfusH°	36.61	kJ/mol	Joback Calculated Property
ΔvapH°	75.41	kJ/mol	Relay (... Calculated Property
IE	9.33	eV	Relay (... Calculated Property
log10WS	-4.31		Relay (... Calculated Property
logPoct/wat	3.745		Crippen Calculated Property
McVol	229.320	ml/mol	McGowan Calculated Property
Pc	1438.07	kPa	Joback Calculated Property
Inp	[1558.00; 1558.00]
Inp	1558.00		NIST
Inp	1558.00		NIST
Tboil	536.46	K	Relay (... Calculated Property
Tc	671.05	K	Relay (... Calculated Property
Tfus	267.49	K	Relay (... Calculated Property
Vc	0.834	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[653.34; 722.59]	J/mol×K	[665.06; 831.21]
Cp,gas	653.34	J/mol×K	665.06	Joback Calculated Property
Cp,gas	666.63	J/mol×K	692.75	Joback Calculated Property
Cp,gas	679.17	J/mol×K	720.44	Joback Calculated Property
Cp,gas	691.01	J/mol×K	748.13	Joback Calculated Property
Cp,gas	702.17	J/mol×K	775.82	Joback Calculated Property
Cp,gas	712.69	J/mol×K	803.52	Joback Calculated Property
Cp,gas	722.59	J/mol×K	831.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-2-en-1-yl 2,2,3,4,4,4-hexafluorobutyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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