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

InChI

InChI=1S/C13H19F5O4/c1-8(2)9(3)22-11(20)6-4-5-10(19)21-7-12(14,15)13(16,17)18/h8-9H,4-7H2,1-3H3

InChI Key

QTRYUFBYUAGPRU-UHFFFAOYSA-N

Formula

C13H19F5O4

SMILES

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

Molecular Weight¹

334.28

• 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°	-1382.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-1809.86	kJ/mol	Joback Calculated Property
ΔfusH°	28.53	kJ/mol	Joback Calculated Property
ΔvapH°	55.39	kJ/mol	Joback Calculated Property
log10WS	-3.84		Crippen Calculated Property
logPoct/wat	3.485		Crippen Calculated Property
McVol	217.760	ml/mol	McGowan Calculated Property
Pc	1543.92	kPa	Joback Calculated Property
Inp	[1332.00; 1332.00]
Inp	1332.00		NIST
Inp	1332.00		NIST
Tboil	638.43	K	Joback Calculated Property
Tc	804.77	K	Joback Calculated Property
Tfus	358.38	K	Joback Calculated Property
Vc	0.868	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[614.90; 687.48]	J/mol×K	[638.43; 804.77]
Cp,gas	614.90	J/mol×K	638.43	Joback Calculated Property
Cp,gas	628.77	J/mol×K	666.15	Joback Calculated Property
Cp,gas	641.90	J/mol×K	693.88	Joback Calculated Property
Cp,gas	654.32	J/mol×K	721.60	Joback Calculated Property
Cp,gas	666.03	J/mol×K	749.32	Joback Calculated Property
Cp,gas	677.08	J/mol×K	777.05	Joback Calculated Property
Cp,gas	687.48	J/mol×K	804.77	Joback Calculated Property

Similar Compounds

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

Sources

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

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