Chemical Properties of Glutaric acid, 2,2,3,3-tetrafluoropropyl isobutyl ester

InChI

InChI=1S/C12H18F4O4/c1-8(2)6-19-9(17)4-3-5-10(18)20-7-12(15,16)11(13)14/h8,11H,3-7H2,1-2H3

InChI Key

ANYSABBYQDBCRI-UHFFFAOYSA-N

Formula

C12H18F4O4

SMILES

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

Molecular Weight¹

302.26

• 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°	-1198.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-1584.36	kJ/mol	Joback Calculated Property
ΔfusH°	30.27	kJ/mol	Joback Calculated Property
ΔvapH°	55.28	kJ/mol	Joback Calculated Property
log10WS	-2.96		Crippen Calculated Property
logPoct/wat	2.799		Crippen Calculated Property
McVol	201.900	ml/mol	McGowan Calculated Property
Pc	1703.31	kPa	Joback Calculated Property
Inp	[1413.00; 1413.00]
Inp	1413.00		NIST
Inp	1413.00		NIST
Tboil	619.51	K	Joback Calculated Property
Tc	785.03	K	Joback Calculated Property
Tfus	344.10	K	Joback Calculated Property
Vc	0.804	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[552.03; 623.07]	J/mol×K	[619.51; 785.03]
Cp,gas	552.03	J/mol×K	619.51	Joback Calculated Property
Cp,gas	565.44	J/mol×K	647.10	Joback Calculated Property
Cp,gas	578.21	J/mol×K	674.68	Joback Calculated Property
Cp,gas	590.35	J/mol×K	702.27	Joback Calculated Property
Cp,gas	601.86	J/mol×K	729.86	Joback Calculated Property
Cp,gas	612.77	J/mol×K	757.45	Joback Calculated Property
Cp,gas	623.07	J/mol×K	785.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2,3,3-tetrafluoropropyl isobutyl ester.

Sources

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

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