Chemical Properties of 2-Ethyl-2-hydroxybutyric acid (CAS 3639-21-2)

InChI

InChI=1S/C6H12O3/c1-3-6(9,4-2)5(7)8/h9H,3-4H2,1-2H3,(H,7,8)

InChI Key

LXVSANCQXSSLPA-UHFFFAOYSA-N

Formula

C6H12O3

SMILES

CCC(O)(CC)C(=O)O

Molecular Weight¹

132.16

CAS

3639-21-2

Other Names

• Butanoic acid, 2-ethyl-2-hydroxy-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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).
• 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

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 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	[157.43; 359.79]	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			-1.71480e+01
Coefficient B			7.84440e-01
Coefficient C			-5.77400e-04
Coefficient D			1.69900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	157.43	J/mol×K	273.00	Calculated Property
Cp,gas	195.63	J/mol×K	353.78	Calculated Property
Cp,gas	228.64	J/mol×K	434.56	Calculated Property
Cp,gas	257.01	J/mol×K	515.33	Calculated Property
Cp,gas	281.28	J/mol×K	596.11	Calculated Property
Cp,gas	301.97	J/mol×K	676.89	Calculated Property
Cp,gas	319.63	J/mol×K	757.67	Calculated Property
Cp,gas	334.80	J/mol×K	838.44	Calculated Property
Cp,gas	348.01	J/mol×K	919.22	Calculated Property
Cp,gas	359.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0024130; 0.0001643]	Pa×s	[381.22; 532.57]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.54820e+01
Coefficient B			3.60447e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			381.22
Temperature range, max.			532.57
η	0.0024130	Pa×s	381.22	Calculated Property
η	0.0016183	Pa×s	398.04	Calculated Property
η	0.0011211	Pa×s	414.85	Calculated Property
η	0.0007992	Pa×s	431.67	Calculated Property
η	0.0005844	Pa×s	448.49	Calculated Property
η	0.0004370	Pa×s	465.30	Calculated Property
η	0.0003336	Pa×s	482.12	Calculated Property
η	0.0002593	Pa×s	498.93	Calculated Property
η	0.0002049	Pa×s	515.75	Calculated Property
η	0.0001643	Pa×s	532.57	Calculated Property

Similar Compounds

Find more compounds similar to 2-Ethyl-2-hydroxybutyric acid.

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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