Chemical Properties of (+-)-3-hydroxybutyric acid, pentafluoropropionate

InChI

InChI=1S/C7H7F5O4/c1-3(2-4(13)14)16-5(15)6(8,9)7(10,11)12/h3H,2H2,1H3,(H,13,14)

InChI Key

ZTPLUBBHELQQIZ-UHFFFAOYSA-N

Formula

C7H7F5O4

SMILES

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

Molecular Weight¹

250.12

• ω : Acentric Factor.
• 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).
• 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).
• 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
ω	0.7066		Relay (1.0) Calculated Property
ΔfG°	-1462.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-1888.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.41	kJ/mol	Joback Calculated Property
ΔvapH°	75.82	kJ/mol	Relay (1.0) Calculated Property
IE	11.11	eV	Relay (1.0) Calculated Property
log10WS	-1.89		Relay (1.0) Calculated Property
logPoct/wat	1.590		Crippen Calculated Property
McVol	133.220	ml/mol	McGowan Calculated Property
Pc	2865.80	kPa	Joback Calculated Property
Inp	[1020.00; 1020.00]
Inp	1020.00		NIST
Inp	1020.00		NIST
Tboil	429.90	K	Relay (1.0) Calculated Property
Tc	584.61	K	Relay (1.0) Calculated Property
Tfus	298.30	K	Relay (1.0) Calculated Property
Vc	0.488	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[351.78; 394.18]	J/mol×K	[571.35; 734.50]
Cp,gas	351.78	J/mol×K	571.35	Joback Calculated Property
Cp,gas	360.05	J/mol×K	598.54	Joback Calculated Property
Cp,gas	367.80	J/mol×K	625.73	Joback Calculated Property
Cp,gas	375.07	J/mol×K	652.92	Joback Calculated Property
Cp,gas	381.88	J/mol×K	680.11	Joback Calculated Property
Cp,gas	388.24	J/mol×K	707.31	Joback Calculated Property
Cp,gas	394.18	J/mol×K	734.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to (+-)-3-hydroxybutyric acid, pentafluoropropionate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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