Chemical Properties of Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl isopropyl ester

InChI

InChI=1S/C13H16F8O4/c1-7(2)25-9(23)5-3-4-8(22)24-6-11(16,17)13(20,21)12(18,19)10(14)15/h7,10H,3-6H2,1-2H3

InChI Key

GOBWIYMYAUGXDE-UHFFFAOYSA-N

Formula

C13H16F8O4

SMILES

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

Molecular Weight¹

388.25

• 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	0.7615		Relay (... Calculated Property
ΔfG°	-1964.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-2518.06	kJ/mol	Relay (... Calculated Property
ΔfusH°	30.35	kJ/mol	Joback Calculated Property
ΔvapH°	76.17	kJ/mol	Relay (... Calculated Property
IE	10.11	eV	Relay (... Calculated Property
log10WS	-4.59		Relay (... Calculated Property
logPoct/wat	3.822		Crippen Calculated Property
McVol	223.070	ml/mol	McGowan Calculated Property
Pc	1412.25	kPa	Joback Calculated Property
Inp	[1392.00; 1392.00]
Inp	1392.00		NIST
Inp	1392.00		NIST
Tboil	511.06	K	Relay (... Calculated Property
Tc	655.55	K	Relay (... Calculated Property
Tfus	290.48	K	Relay (... Calculated Property
Vc	0.858	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[641.87; 709.20]	J/mol×K	[633.01; 790.69]
Cp,gas	641.87	J/mol×K	633.01	Joback Calculated Property
Cp,gas	654.83	J/mol×K	659.29	Joback Calculated Property
Cp,gas	667.06	J/mol×K	685.57	Joback Calculated Property
Cp,gas	678.58	J/mol×K	711.85	Joback Calculated Property
Cp,gas	689.42	J/mol×K	738.13	Joback Calculated Property
Cp,gas	699.62	J/mol×K	764.41	Joback Calculated Property
Cp,gas	709.20	J/mol×K	790.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl isopropyl ester.

Sources

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

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