Chemical Properties of Glutaric acid, (2-chlorocyclohexyl)methyl 1,1,1-trifluoroprop-2-yl ester

InChI

InChI=1S/C15H22ClF3O4/c1-10(15(17,18)19)23-14(21)8-4-7-13(20)22-9-11-5-2-3-6-12(11)16/h10-12H,2-9H2,1H3

InChI Key

FKBWOLRFPJODQT-UHFFFAOYSA-N

Formula

C15H22ClF3O4

SMILES

CC(OC(=O)CCCC(=O)OCC1CCCCC1Cl)C(F)(F)F

Molecular Weight¹

358.78

• 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	0.7213		Relay (1.0) Calculated Property
ΔfG°	-971.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-1596.30	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.59	kJ/mol	Joback Calculated Property
ΔvapH°	84.79	kJ/mol	Relay (1.0) Calculated Property
IE	9.92	eV	Relay (1.0) Calculated Property
log10WS	-3.98		Relay (1.0) Calculated Property
logPoct/wat	3.991		Crippen Calculated Property
McVol	243.780	ml/mol	McGowan Calculated Property
Pc	1551.22	kPa	Joback Calculated Property
Inp	[1930.00; 1930.00]
Inp	1930.00		NIST
Inp	1930.00		NIST
Tboil	605.14	K	Relay (1.0) Calculated Property
Tc	767.25	K	Relay (1.0) Calculated Property
Tfus	315.67	K	Relay (1.0) Calculated Property
Vc	0.880	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[731.13; 812.12]	J/mol×K	[741.63; 934.36]
Cp,gas	731.13	J/mol×K	741.63	Joback Calculated Property
Cp,gas	747.27	J/mol×K	773.75	Joback Calculated Property
Cp,gas	762.33	J/mol×K	805.87	Joback Calculated Property
Cp,gas	776.32	J/mol×K	837.99	Joback Calculated Property
Cp,gas	789.27	J/mol×K	870.11	Joback Calculated Property
Cp,gas	801.19	J/mol×K	902.24	Joback Calculated Property
Cp,gas	812.12	J/mol×K	934.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, (2-chlorocyclohexyl)methyl 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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