Chemical Properties of Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl trans-4-tert-butylcyclohexyl ester

InChI

InChI=1S/C20H28F8O4/c1-17(2,3)12-7-9-13(10-8-12)32-15(30)6-4-5-14(29)31-11-18(23,24)20(27,28)19(25,26)16(21)22/h12-13,16H,4-11H2,1-3H3

InChI Key

WJAXMOVDIIRVRJ-UHFFFAOYSA-N

Formula

C20H28F8O4

SMILES

CC(C)(C)C1CCC(OC(=O)CCCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)CC1

Molecular Weight¹

484.42

• 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).
• 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
ΔfG°	-1883.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-2520.91	kJ/mol	Joback Calculated Property
ΔfusH°	37.50	kJ/mol	Joback Calculated Property
ΔvapH°	66.44	kJ/mol	Joback Calculated Property
log10WS	-6.70		Crippen Calculated Property
logPoct/wat	6.019		Crippen Calculated Property
McVol	310.840	ml/mol	McGowan Calculated Property
Pc	1007.81	kPa	Joback Calculated Property
Inp	[2113.00; 2113.00]
Inp	2113.00		NIST
Inp	2113.00		NIST
Tboil	805.26	K	Joback Calculated Property
Tc	990.03	K	Joback Calculated Property
Tfus	462.02	K	Joback Calculated Property
Vc	1.230	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1033.22; 1117.32]	J/mol×K	[805.26; 990.03]
Cp,gas	1033.22	J/mol×K	805.26	Joback Calculated Property
Cp,gas	1049.92	J/mol×K	836.05	Joback Calculated Property
Cp,gas	1065.46	J/mol×K	866.85	Joback Calculated Property
Cp,gas	1079.89	J/mol×K	897.64	Joback Calculated Property
Cp,gas	1093.30	J/mol×K	928.44	Joback Calculated Property
Cp,gas	1105.75	J/mol×K	959.23	Joback Calculated Property
Cp,gas	1117.32	J/mol×K	990.03	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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