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

InChI

InChI=1S/C15H20F8O4/c1-8(2)9(3)27-11(25)6-4-5-10(24)26-7-13(18,19)15(22,23)14(20,21)12(16)17/h8-9,12H,4-7H2,1-3H3

InChI Key

CEGJTPKAYRXCPR-UHFFFAOYSA-N

Formula

C15H20F8O4

SMILES

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

Molecular Weight¹

416.30

• 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	0.7983		Relay (1.0) Calculated Property
ΔfG°	-1949.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-2559.38	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.01	kJ/mol	Joback Calculated Property
ΔvapH°	79.07	kJ/mol	Relay (1.0) Calculated Property
IE	10.07	eV	Relay (1.0) Calculated Property
log10WS	-5.06		Relay (1.0) Calculated Property
logPoct/wat	4.459		Crippen Calculated Property
McVol	251.250	ml/mol	McGowan Calculated Property
Pc	1235.48	kPa	Joback Calculated Property
Inp	[1556.00; 1556.00]
Inp	1556.00		NIST
Inp	1556.00		NIST
Tboil	541.75	K	Relay (1.0) Calculated Property
Tc	680.45	K	Relay (1.0) Calculated Property
Tfus	289.71	K	Relay (1.0) Calculated Property
Vc	0.948	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[748.90; 821.52]	J/mol×K	[678.33; 840.12]
Cp,gas	748.90	J/mol×K	678.33	Joback Calculated Property
Cp,gas	762.91	J/mol×K	705.30	Joback Calculated Property
Cp,gas	776.11	J/mol×K	732.26	Joback Calculated Property
Cp,gas	788.54	J/mol×K	759.23	Joback Calculated Property
Cp,gas	800.23	J/mol×K	786.19	Joback Calculated Property
Cp,gas	811.21	J/mol×K	813.16	Joback Calculated Property
Cp,gas	821.52	J/mol×K	840.12	Joback Calculated Property

Similar Compounds

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

Sources

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

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