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_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).
• 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
ΔfG°	-1050.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-1361.70	kJ/mol	Joback Calculated Property
ΔfusH°	28.43	kJ/mol	Joback Calculated Property
ΔvapH°	66.30	kJ/mol	Joback Calculated Property
log10WS	-2.74		Crippen Calculated Property
logPoct/wat	2.516		Crippen Calculated Property
McVol	171.950	ml/mol	McGowan Calculated Property
Pc	2300.32	kPa	Joback Calculated Property
Inp	[1352.00; 1352.00]
Inp	1352.00		NIST
Inp	1352.00		NIST
Tboil	644.68	K	Joback Calculated Property
Tc	811.81	K	Joback Calculated Property
Tfus	374.56	K	Joback Calculated Property
Vc	0.681	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[474.41; 530.53]	J/mol×K	[644.68; 811.81]
Cp,gas	474.41	J/mol×K	644.68	Joback Calculated Property
Cp,gas	485.09	J/mol×K	672.54	Joback Calculated Property
Cp,gas	495.22	J/mol×K	700.39	Joback Calculated Property
Cp,gas	504.81	J/mol×K	728.25	Joback Calculated Property
Cp,gas	513.88	J/mol×K	756.10	Joback Calculated Property
Cp,gas	522.45	J/mol×K	783.96	Joback Calculated Property
Cp,gas	530.53	J/mol×K	811.81	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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