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

InChI

InChI=1S/C18H27F7O4/c1-2-3-4-5-6-7-8-12-28-14(26)10-9-11-15(27)29-13-16(19,20)17(21,22)18(23,24)25/h2-13H2,1H3

InChI Key

YQEMCQPGGYBHNQ-UHFFFAOYSA-N

Formula

C18H27F7O4

SMILES

CCCCCCCCCOC(=O)CCCC(=O)OCC(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

440.39

• 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	0.9775		Relay (1.0) Calculated Property
ΔfG°	-1722.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-2439.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.27	kJ/mol	Joback Calculated Property
ΔvapH°	87.72	kJ/mol	Relay (1.0) Calculated Property
IE	10.11	eV	Relay (1.0) Calculated Property
log10WS	-6.32		Relay (1.0) Calculated Property
logPoct/wat	5.827		Crippen Calculated Property
McVol	291.750	ml/mol	McGowan Calculated Property
Pc	1032.57	kPa	Joback Calculated Property
Inp	[2048.00; 2048.00]
Inp	2048.00		NIST
Inp	2048.00		NIST
Tboil	572.53	K	Relay (1.0) Calculated Property
Tc	677.48	K	Relay (1.0) Calculated Property
Tfus	260.23	K	Relay (1.0) Calculated Property
Vc	1.110	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[907.80; 987.56]	J/mol×K	[749.02; 918.33]
Cp,gas	907.80	J/mol×K	749.02	Joback Calculated Property
Cp,gas	923.16	J/mol×K	777.24	Joback Calculated Property
Cp,gas	937.63	J/mol×K	805.46	Joback Calculated Property
Cp,gas	951.27	J/mol×K	833.67	Joback Calculated Property
Cp,gas	964.10	J/mol×K	861.89	Joback Calculated Property
Cp,gas	976.18	J/mol×K	890.11	Joback Calculated Property
Cp,gas	987.56	J/mol×K	918.33	Joback Calculated Property

Similar Compounds

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

Sources

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

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