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

InChI

InChI=1S/C13H17F5O4/c1-9(2)6-7-21-10(19)4-3-5-11(20)22-8-12(14,15)13(16,17)18/h6H,3-5,7-8H2,1-2H3

InChI Key

TWWRGRNGTRAHLJ-UHFFFAOYSA-N

Formula

C13H17F5O4

SMILES

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

Molecular Weight¹

332.26

• 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	0.6980		Relay (1.0) Calculated Property
ΔfG°	-1305.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-1871.40	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.46	kJ/mol	Joback Calculated Property
ΔvapH°	72.23	kJ/mol	Relay (1.0) Calculated Property
IE	9.29	eV	Relay (1.0) Calculated Property
log10WS	-4.08		Relay (1.0) Calculated Property
logPoct/wat	3.407		Crippen Calculated Property
McVol	213.460	ml/mol	McGowan Calculated Property
Pc	1594.89	kPa	Joback Calculated Property
Inp	[1413.00; 1413.00]
Inp	1413.00		NIST
Inp	1413.00		NIST
Tboil	517.65	K	Relay (1.0) Calculated Property
Tc	638.10	K	Relay (1.0) Calculated Property
Tfus	268.75	K	Relay (1.0) Calculated Property
Vc	0.779	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[592.49; 660.48]	J/mol×K	[643.35; 812.05]
Cp,gas	592.49	J/mol×K	643.35	Joback Calculated Property
Cp,gas	605.53	J/mol×K	671.47	Joback Calculated Property
Cp,gas	617.84	J/mol×K	699.58	Joback Calculated Property
Cp,gas	629.46	J/mol×K	727.70	Joback Calculated Property
Cp,gas	640.42	J/mol×K	755.82	Joback Calculated Property
Cp,gas	650.75	J/mol×K	783.94	Joback Calculated Property
Cp,gas	660.48	J/mol×K	812.05	Joback Calculated Property

Similar Compounds

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

Sources

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

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