Chemical Properties of 3-Oxypentanol, 5-chloro, trifluoroacetate

InChI

InChI=1S/C6H8ClF3O3/c7-1-2-12-3-4-13-5(11)6(8,9)10/h1-4H2

InChI Key

GMCNAIXEBHZCAY-UHFFFAOYSA-N

Formula

C6H8ClF3O3

SMILES

O=C(OCCOCCCl)C(F)(F)F

Molecular Weight¹

220.57

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[274.78; 323.32]	J/mol×K	[467.40; 635.32]
Cp,gas	274.78	J/mol×K	467.40	Joback Calculated Property
Cp,gas	283.81	J/mol×K	495.39	Joback Calculated Property
Cp,gas	292.46	J/mol×K	523.37	Joback Calculated Property
Cp,gas	300.73	J/mol×K	551.36	Joback Calculated Property
Cp,gas	308.63	J/mol×K	579.34	Joback Calculated Property
Cp,gas	316.15	J/mol×K	607.33	Joback Calculated Property
Cp,gas	323.32	J/mol×K	635.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Oxypentanol, 5-chloro, trifluoroacetate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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