Chemical Properties of Alpha-hydroxy-isobutyric acid, n-butyl ester (CAS 816-50-2)

InChI

InChI=1S/C8H16O3/c1-4-5-6-11-7(9)8(2,3)10/h10H,4-6H2,1-3H3

InChI Key

KDOLGPLJUMQYBO-UHFFFAOYSA-N

Formula

C8H16O3

SMILES

CCCCOC(=O)C(C)(C)O

Molecular Weight¹

160.21

CAS

816-50-2

Other Names

• 2-Hydroxyisobutyric acid, butylester

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[202.57; 460.30]	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			1.84300e+00
Coefficient B			8.68860e-01
Coefficient C			-5.19000e-04
Coefficient D			1.08600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	202.57	J/mol×K	273.00	Calculated Property
Cp,gas	249.08	J/mol×K	353.78	Calculated Property
Cp,gas	290.32	J/mol×K	434.56	Calculated Property
Cp,gas	326.63	J/mol×K	515.33	Calculated Property
Cp,gas	358.36	J/mol×K	596.11	Calculated Property
Cp,gas	385.85	J/mol×K	676.89	Calculated Property
Cp,gas	409.45	J/mol×K	757.67	Calculated Property
Cp,gas	429.49	J/mol×K	838.44	Calculated Property
Cp,gas	446.33	J/mol×K	919.22	Calculated Property
Cp,gas	460.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0262887; 0.0001710]	Pa×s	[285.49; 493.18]	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			-1.55955e+01
Coefficient B			3.41357e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			285.49
Temperature range, max.			493.18
η	0.0262887	Pa×s	285.49	Calculated Property
η	0.0107500	Pa×s	308.57	Calculated Property
η	0.0049785	Pa×s	331.64	Calculated Property
η	0.0025485	Pa×s	354.72	Calculated Property
η	0.0014158	Pa×s	377.80	Calculated Property
η	0.0008416	Pa×s	400.88	Calculated Property
η	0.0005294	Pa×s	423.95	Calculated Property
η	0.0003494	Pa×s	447.03	Calculated Property
η	0.0002402	Pa×s	470.11	Calculated Property
η	0.0001710	Pa×s	493.18	Calculated Property

Similar Compounds

Find more compounds similar to Alpha-hydroxy-isobutyric acid, n-butyl ester.

Sources

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

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