Chemical Properties of Glutaric acid, cyclohexylmethyl 1,1,1-trifluoroprop-2-yl ester

InChI

InChI=1S/C15H23F3O4/c1-11(15(16,17)18)22-14(20)9-5-8-13(19)21-10-12-6-3-2-4-7-12/h11-12H,2-10H2,1H3

InChI Key

JOXWETOHSVNYFC-UHFFFAOYSA-N

Formula

C15H23F3O4

SMILES

CC(OC(=O)CCCC(=O)OCC1CCCCC1)C(F)(F)F

Molecular Weight¹

324.34

• 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°	-952.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-1390.57	kJ/mol	Joback Calculated Property
ΔfusH°	30.32	kJ/mol	Joback Calculated Property
ΔvapH°	63.59	kJ/mol	Joback Calculated Property
log10WS	-4.25		Crippen Calculated Property
logPoct/wat	3.774		Crippen Calculated Property
McVol	231.540	ml/mol	McGowan Calculated Property
Pc	1640.43	kPa	Joback Calculated Property
Inp	[1726.00; 1726.00]
Inp	1726.00		NIST
Inp	1726.00		NIST
Tboil	708.87	K	Joback Calculated Property
Tc	897.63	K	Joback Calculated Property
Tfus	399.70	K	Joback Calculated Property
Vc	0.893	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[697.90; 784.08]	J/mol×K	[708.87; 897.63]
Cp,gas	697.90	J/mol×K	708.87	Joback Calculated Property
Cp,gas	714.81	J/mol×K	740.33	Joback Calculated Property
Cp,gas	730.67	J/mol×K	771.79	Joback Calculated Property
Cp,gas	745.50	J/mol×K	803.25	Joback Calculated Property
Cp,gas	759.33	J/mol×K	834.71	Joback Calculated Property
Cp,gas	772.18	J/mol×K	866.17	Joback Calculated Property
Cp,gas	784.08	J/mol×K	897.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, cyclohexylmethyl 1,1,1-trifluoroprop-2-yl ester.

Sources

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

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