Chemical Properties of (+-)-2-Hydroxyoctanoic acid, trifluoroacetate

InChI

InChI=1S/C10H15F3O4/c1-2-3-4-5-6-7(8(14)15)17-9(16)10(11,12)13/h7H,2-6H2,1H3,(H,14,15)

InChI Key

GBAXXYUPUIVJAF-UHFFFAOYSA-N

Formula

C10H15F3O4

SMILES

CCCCCCC(OC(=O)C(F)(F)F)C(=O)O

Molecular Weight¹

256.22

• 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).
• 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

Property	Value	Unit	Source
ΔfusH°	34.47	kJ/mol	Joback Calculated Property
logPoct/wat	2.516		Crippen Calculated Property
McVol	171.950	ml/mol	McGowan Calculated Property
Inp	[1352.00; 1352.00]
Inp	1352.00		NIST
Inp	1352.00		NIST
Tboil	492.87	K	Relay (1.0) Calculated Property
Tfus	326.43	K	Relay (1.0) Calculated Property

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, 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	[270.40; 577.34]	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			1.59250e+01
Coefficient B			1.11692e+00
Coefficient C			-7.22400e-04
Coefficient D			1.66900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	270.40	J/mol×K	273.00	Calculated Property
Cp,gas	328.04	J/mol×K	353.78	Calculated Property
Cp,gas	378.57	J/mol×K	434.56	Calculated Property
Cp,gas	422.51	J/mol×K	515.33	Calculated Property
Cp,gas	460.38	J/mol×K	596.11	Calculated Property
Cp,gas	492.73	J/mol×K	676.89	Calculated Property
Cp,gas	520.07	J/mol×K	757.67	Calculated Property
Cp,gas	542.93	J/mol×K	838.44	Calculated Property
Cp,gas	561.85	J/mol×K	919.22	Calculated Property
Cp,gas	577.34	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to (+-)-2-Hydroxyoctanoic acid, 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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