Chemical Properties of 1-Hydroxy-3-methyl-2-butanone (CAS 36960-22-2)

InChI

InChI=1S/C5H10O2/c1-4(2)5(7)3-6/h4,6H,3H2,1-2H3

InChI Key

NBEGXSQMVJTIAR-UHFFFAOYSA-N

Formula

C5H10O2

SMILES

CC(C)C(=O)CO

Molecular Weight¹

102.13

CAS

36960-22-2

Other Names

• 2-Butanone, 1-hydroxy-3-methyl-

• 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).
• 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[124.66; 285.51]	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			9.31100e+00
Coefficient B			4.90740e-01
Coefficient C			-2.63100e-04
Coefficient D			4.85600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	124.66	J/mol×K	273.00	Calculated Property
Cp,gas	152.14	J/mol×K	353.78	Calculated Property
Cp,gas	176.87	J/mol×K	434.56	Calculated Property
Cp,gas	198.98	J/mol×K	515.33	Calculated Property
Cp,gas	218.64	J/mol×K	596.11	Calculated Property
Cp,gas	236.00	J/mol×K	676.89	Calculated Property
Cp,gas	251.21	J/mol×K	757.67	Calculated Property
Cp,gas	264.43	J/mol×K	838.44	Calculated Property
Cp,gas	275.82	J/mol×K	919.22	Calculated Property
Cp,gas	285.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0540168; 0.0002808]	Pa×s	[241.86; 445.22]	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			-1.44327e+01
Coefficient B			2.78484e+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.			241.86
Temperature range, max.			445.22
η	0.0540168	Pa×s	241.86	Calculated Property
η	0.0201959	Pa×s	264.46	Calculated Property
η	0.0088158	Pa×s	287.05	Calculated Property
η	0.0043432	Pa×s	309.65	Calculated Property
η	0.0023560	Pa×s	332.24	Calculated Property
η	0.0013815	Pa×s	354.84	Calculated Property
η	0.0008636	Pa×s	377.44	Calculated Property
η	0.0005693	Pa×s	400.03	Calculated Property
η	0.0003923	Pa×s	422.63	Calculated Property
η	0.0002808	Pa×s	445.22	Calculated Property

Similar Compounds

Find more compounds similar to 1-Hydroxy-3-methyl-2-butanone.

Sources

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

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