Chemical Properties of exo-Norborneol, trifluoroacetate (CAS 31024-13-2)

InChI

InChI=1S/C9H11F3O2/c10-9(11,12)8(13)14-7-4-5-1-2-6(7)3-5/h5-7H,1-4H2

InChI Key

TYDZLCYUJXYSAI-UHFFFAOYSA-N

Formula

C9H11F3O2

SMILES

O=C(OC1CC2CCC1C2)C(F)(F)F

Molecular Weight¹

208.18

CAS

31024-13-2

Other Names

• Acetic acid, trifluoro-, 2-norbornyl ester, exo-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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, Ionization energy, Log10 of Water solubility in mol/l 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[186.37; 482.35]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-8.57500e+01
Coefficient B			1.23090e+00
Coefficient C			-9.30800e-04
Coefficient D			2.68000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	186.37	J/mol×K	273.00	Calculated Property
Cp,gas	245.08	J/mol×K	353.78	Calculated Property
Cp,gas	295.37	J/mol×K	434.56	Calculated Property
Cp,gas	338.06	J/mol×K	515.33	Calculated Property
Cp,gas	374.01	J/mol×K	596.11	Calculated Property
Cp,gas	404.08	J/mol×K	676.89	Calculated Property
Cp,gas	429.09	J/mol×K	757.67	Calculated Property
Cp,gas	449.91	J/mol×K	838.44	Calculated Property
Cp,gas	467.38	J/mol×K	919.22	Calculated Property
Cp,gas	482.35	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to exo-Norborneol, 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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