Chemical Properties of Glutaric acid, (2-chlorocyclohexyl)methyl 2,2,3,3-tetrafluoropropyl ester

InChI

InChI=1S/C15H21ClF4O4/c16-11-5-2-1-4-10(11)8-23-12(21)6-3-7-13(22)24-9-15(19,20)14(17)18/h10-11,14H,1-9H2

InChI Key

NTHKUDADTQZNFB-UHFFFAOYSA-N

Formula

C15H21ClF4O4

SMILES

O=C(CCCC(=O)OCC(F)(F)C(F)F)OCC1CCCCC1Cl

Molecular Weight¹

376.77

• 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	0.7623		Relay (1.0) Calculated Property
ΔfG°	-1166.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-1719.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.67	kJ/mol	Joback Calculated Property
ΔvapH°	89.96	kJ/mol	Relay (1.0) Calculated Property
IE	10.05	eV	Relay (1.0) Calculated Property
log10WS	-4.48		Relay (1.0) Calculated Property
logPoct/wat	3.941		Crippen Calculated Property
McVol	245.550	ml/mol	McGowan Calculated Property
Pc	1497.67	kPa	Joback Calculated Property
Inp	[2026.00; 2026.00]
Inp	2026.00		NIST
Inp	2026.00		NIST
Tboil	616.13	K	Relay (1.0) Calculated Property
Tc	786.88	K	Relay (1.0) Calculated Property
Tfus	329.72	K	Relay (1.0) Calculated Property
Vc	0.899	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[738.84; 817.44]	J/mol×K	[740.90; 928.09]
Cp,gas	738.84	J/mol×K	740.90	Joback Calculated Property
Cp,gas	754.46	J/mol×K	772.10	Joback Calculated Property
Cp,gas	769.04	J/mol×K	803.30	Joback Calculated Property
Cp,gas	782.60	J/mol×K	834.49	Joback Calculated Property
Cp,gas	795.18	J/mol×K	865.69	Joback Calculated Property
Cp,gas	806.78	J/mol×K	896.89	Joback Calculated Property
Cp,gas	817.44	J/mol×K	928.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, (2-chlorocyclohexyl)methyl 2,2,3,3-tetrafluoropropyl ester.

Sources

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

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