Chemical Properties of Glutaric acid, 2,2,3,3,4,4,4-heptafluorobutyl isobutyl ester

InChI

InChI=1S/C13H17F7O4/c1-8(2)6-23-9(21)4-3-5-10(22)24-7-11(14,15)12(16,17)13(18,19)20/h8H,3-7H2,1-2H3

InChI Key

JFMGKEYQCBYYDN-UHFFFAOYSA-N

Formula

C13H17F7O4

SMILES

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

Molecular Weight¹

370.26

• 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	0.7654		Relay (1.0) Calculated Property
ΔfG°	-1766.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-2367.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.80	kJ/mol	Joback Calculated Property
ΔvapH°	69.24	kJ/mol	Relay (1.0) Calculated Property
IE	10.33	eV	Relay (1.0) Calculated Property
log10WS	-4.57		Relay (1.0) Calculated Property
logPoct/wat	3.732		Crippen Calculated Property
McVol	221.300	ml/mol	McGowan Calculated Property
Pc	1452.35	kPa	Joback Calculated Property
Inp	[1497.00; 1497.00]
Inp	1497.00		NIST
Inp	1497.00		NIST
Tboil	509.88	K	Relay (1.0) Calculated Property
Tc	620.50	K	Relay (1.0) Calculated Property
Tfus	253.66	K	Relay (1.0) Calculated Property
Vc	0.839	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[633.41; 701.85]	J/mol×K	[634.18; 794.40]
Cp,gas	633.41	J/mol×K	634.18	Joback Calculated Property
Cp,gas	646.58	J/mol×K	660.88	Joback Calculated Property
Cp,gas	658.99	J/mol×K	687.59	Joback Calculated Property
Cp,gas	670.70	J/mol×K	714.29	Joback Calculated Property
Cp,gas	681.72	J/mol×K	741.00	Joback Calculated Property
Cp,gas	692.09	J/mol×K	767.70	Joback Calculated Property
Cp,gas	701.85	J/mol×K	794.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2,3,3,4,4,4-heptafluorobutyl isobutyl ester.

Sources

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

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