Chemical Properties of «alpha»-Hydroxyisobutyric acid, heptafluorobutyrate

InChI

InChI=1S/C8H7F7O4/c1-5(2,3(16)17)19-4(18)6(9,10)7(11,12)8(13,14)15/h1-2H3,(H,16,17)

InChI Key

OJGONUYELKIPPD-UHFFFAOYSA-N

Formula

C8H7F7O4

SMILES

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

Molecular Weight¹

300.13

• 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°	-1835.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-2125.83	kJ/mol	Joback Calculated Property
ΔfusH°	16.85	kJ/mol	Joback Calculated Property
ΔvapH°	55.08	kJ/mol	Joback Calculated Property
log10WS	-2.54		Crippen Calculated Property
logPoct/wat	2.226		Crippen Calculated Property
McVol	150.850	ml/mol	McGowan Calculated Property
Pc	2441.06	kPa	Joback Calculated Property
Inp	[1046.00; 1046.00]
Inp	1046.00		NIST
Inp	1046.00		NIST
Tboil	586.75	K	Joback Calculated Property
Tc	749.02	K	Joback Calculated Property
Tfus	376.64	K	Joback Calculated Property
Vc	0.615	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[420.90; 464.53]	J/mol×K	[586.75; 749.02]
Cp,gas	420.90	J/mol×K	586.75	Joback Calculated Property
Cp,gas	429.70	J/mol×K	613.80	Joback Calculated Property
Cp,gas	437.83	J/mol×K	640.84	Joback Calculated Property
Cp,gas	445.34	J/mol×K	667.89	Joback Calculated Property
Cp,gas	452.26	J/mol×K	694.93	Joback Calculated Property
Cp,gas	458.65	J/mol×K	721.98	Joback Calculated Property
Cp,gas	464.53	J/mol×K	749.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to «alpha»-Hydroxyisobutyric acid, heptafluorobutyrate.

Sources

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

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