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

InChI

InChI=1S/C18H26F8O4/c1-3-5-6-8-12(4-2)30-14(28)10-7-9-13(27)29-11-16(21,22)18(25,26)17(23,24)15(19)20/h12,15H,3-11H2,1-2H3

InChI Key

KNLMJSVRMIPBJF-UHFFFAOYSA-N

Formula

C18H26F8O4

SMILES

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

Molecular Weight¹

458.38

• 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	0.9307		Relay (1.0) Calculated Property
ΔfG°	-1922.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-2602.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.30	kJ/mol	Joback Calculated Property
ΔvapH°	89.02	kJ/mol	Relay (1.0) Calculated Property
IE	9.95	eV	Relay (1.0) Calculated Property
log10WS	-6.14		Relay (1.0) Calculated Property
logPoct/wat	5.773		Crippen Calculated Property
McVol	293.520	ml/mol	McGowan Calculated Property
Pc	1013.59	kPa	Joback Calculated Property
Inp	[1781.00; 1781.00]
Inp	1781.00		NIST
Inp	1781.00		NIST
Tboil	579.13	K	Relay (1.0) Calculated Property
Tc	705.78	K	Relay (1.0) Calculated Property
Tfus	277.28	K	Relay (1.0) Calculated Property
Vc	1.108	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[916.46; 995.51]	J/mol×K	[747.41; 916.25]
Cp,gas	916.46	J/mol×K	747.41	Joback Calculated Property
Cp,gas	931.75	J/mol×K	775.55	Joback Calculated Property
Cp,gas	946.13	J/mol×K	803.69	Joback Calculated Property
Cp,gas	959.65	J/mol×K	831.83	Joback Calculated Property
Cp,gas	972.36	J/mol×K	859.97	Joback Calculated Property
Cp,gas	984.30	J/mol×K	888.11	Joback Calculated Property
Cp,gas	995.51	J/mol×K	916.25	Joback Calculated Property

Similar Compounds

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

Sources

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

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