Chemical Properties of Glutaric acid, 2-(cyclohexyl)ethyl 1,1,1-trifluoroprop-2-yl ester

InChI

InChI=1S/C16H25F3O4/c1-12(16(17,18)19)23-15(21)9-5-8-14(20)22-11-10-13-6-3-2-4-7-13/h12-13H,2-11H2,1H3

InChI Key

XQZKEAUJMCIKER-UHFFFAOYSA-N

Formula

C16H25F3O4

SMILES

CC(OC(=O)CCCC(=O)OCCC1CCCCC1)C(F)(F)F

Molecular Weight¹

338.36

• 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	0.7485		Relay (1.0) Calculated Property
ΔfG°	-943.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-1595.81	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.91	kJ/mol	Joback Calculated Property
ΔvapH°	81.19	kJ/mol	Relay (1.0) Calculated Property
IE	9.93	eV	Relay (1.0) Calculated Property
log10WS	-4.04		Relay (1.0) Calculated Property
logPoct/wat	4.164		Crippen Calculated Property
McVol	245.630	ml/mol	McGowan Calculated Property
Pc	1519.94	kPa	Joback Calculated Property
Inp	[1779.00; 1779.00]
Inp	1779.00		NIST
Inp	1779.00		NIST
Tboil	592.73	K	Relay (1.0) Calculated Property
Tc	745.26	K	Relay (1.0) Calculated Property
Tfus	288.38	K	Relay (1.0) Calculated Property
Vc	0.897	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[754.45; 841.61]	J/mol×K	[731.75; 919.77]
Cp,gas	754.45	J/mol×K	731.75	Joback Calculated Property
Cp,gas	771.58	J/mol×K	763.09	Joback Calculated Property
Cp,gas	787.64	J/mol×K	794.42	Joback Calculated Property
Cp,gas	802.64	J/mol×K	825.76	Joback Calculated Property
Cp,gas	816.62	J/mol×K	857.10	Joback Calculated Property
Cp,gas	829.60	J/mol×K	888.43	Joback Calculated Property
Cp,gas	841.61	J/mol×K	919.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-(cyclohexyl)ethyl 1,1,1-trifluoroprop-2-yl ester.

Sources

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

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