Chemical Properties of Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3,7-dimethyloctyl ester

InChI

InChI=1S/C20H30F8O4/c1-13(2)6-4-7-14(3)10-11-31-15(29)8-5-9-16(30)32-12-18(23,24)20(27,28)19(25,26)17(21)22/h13-14,17H,4-12H2,1-3H3

InChI Key

OFXNBQAYKCBIOC-UHFFFAOYSA-N

Formula

C20H30F8O4

SMILES

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

Molecular Weight¹

486.44

• 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	0.9683		Relay (1.0) Calculated Property
ΔfG°	-1907.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-2653.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.96	kJ/mol	Joback Calculated Property
ΔvapH°	94.53	kJ/mol	Relay (1.0) Calculated Property
IE	9.81	eV	Relay (1.0) Calculated Property
log10WS	-6.85		Relay (1.0) Calculated Property
logPoct/wat	6.267		Crippen Calculated Property
McVol	321.700	ml/mol	McGowan Calculated Property
Pc	904.52	kPa	Joback Calculated Property
Inp	[2014.00; 2014.00]
Inp	2014.00		NIST
Inp	2014.00		NIST
Tboil	607.94	K	Relay (1.0) Calculated Property
Tc	724.54	K	Relay (1.0) Calculated Property
Tfus	287.54	K	Relay (1.0) Calculated Property
Vc	1.204	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1033.66; 1117.72]	J/mol×K	[792.73; 970.53]
Cp,gas	1033.66	J/mol×K	792.73	Joback Calculated Property
Cp,gas	1050.02	J/mol×K	822.36	Joback Calculated Property
Cp,gas	1065.37	J/mol×K	852.00	Joback Calculated Property
Cp,gas	1079.75	J/mol×K	881.63	Joback Calculated Property
Cp,gas	1093.23	J/mol×K	911.26	Joback Calculated Property
Cp,gas	1105.87	J/mol×K	940.90	Joback Calculated Property
Cp,gas	1117.72	J/mol×K	970.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3,7-dimethyloctyl ester.

Sources

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

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