Chemical Properties of Glutaric acid, 2,2,3,3-tetrafluoropropyl cis-4-tert-butylcyclohexyl ester

InChI

InChI=1S/C18H28F4O4/c1-17(2,3)12-7-9-13(10-8-12)26-15(24)6-4-5-14(23)25-11-18(21,22)16(19)20/h12-13,16H,4-11H2,1-3H3

InChI Key

CJYVEPOSAOZKAN-UHFFFAOYSA-N

Formula

C18H28F4O4

SMILES

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

Molecular Weight¹

384.41

• 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°	-1126.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-1677.69	kJ/mol	Joback Calculated Property
ΔfusH°	34.82	kJ/mol	Joback Calculated Property
ΔvapH°	67.85	kJ/mol	Joback Calculated Property
log10WS	-5.23		Crippen Calculated Property
logPoct/wat	4.748		Crippen Calculated Property
McVol	275.580	ml/mol	McGowan Calculated Property
Pc	1261.06	kPa	Joback Calculated Property
Inp	[1958.00; 1958.00]
Inp	1958.00		NIST
Inp	1958.00		NIST
Tboil	768.88	K	Joback Calculated Property
Tc	957.20	K	Joback Calculated Property
Tfus	432.28	K	Joback Calculated Property
Vc	1.067	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[882.31; 971.45]	J/mol×K	[768.88; 957.20]
Cp,gas	882.31	J/mol×K	768.88	Joback Calculated Property
Cp,gas	899.99	J/mol×K	800.27	Joback Calculated Property
Cp,gas	916.48	J/mol×K	831.65	Joback Calculated Property
Cp,gas	931.83	J/mol×K	863.04	Joback Calculated Property
Cp,gas	946.08	J/mol×K	894.43	Joback Calculated Property
Cp,gas	959.28	J/mol×K	925.82	Joback Calculated Property
Cp,gas	971.45	J/mol×K	957.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2,3,3-tetrafluoropropyl cis-4-tert-butylcyclohexyl ester.

Sources

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

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