Chemical Properties of «alpha»-Hydroxyisobutyric acid, acetate

InChI

InChI=1S/C6H10O4/c1-4(7)10-6(2,3)5(8)9/h1-3H3,(H,8,9)

InChI Key

NIWFXRKHWKGFMT-UHFFFAOYSA-N

Formula

C6H10O4

SMILES

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

Molecular Weight¹

146.14

• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[161.26; 349.23]	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			2.97000e+00
Coefficient B			6.95660e-01
Coefficient C			-4.52400e-04
Coefficient D			1.03000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	161.26	J/mol×K	273.00	Calculated Property
Cp,gas	197.02	J/mol×K	353.78	Calculated Property
Cp,gas	228.29	J/mol×K	434.56	Calculated Property
Cp,gas	255.42	J/mol×K	515.33	Calculated Property
Cp,gas	278.72	J/mol×K	596.11	Calculated Property
Cp,gas	298.52	J/mol×K	676.89	Calculated Property
Cp,gas	315.14	J/mol×K	757.67	Calculated Property
Cp,gas	328.92	J/mol×K	838.44	Calculated Property
Cp,gas	340.17	J/mol×K	919.22	Calculated Property
Cp,gas	349.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017632; 0.0002640]	Pa×s	[362.73; 520.29]	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			-1.26114e+01
Coefficient B			2.27460e+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.			362.73
Temperature range, max.			520.29
η	0.0017632	Pa×s	362.73	Calculated Property
η	0.0013210	Pa×s	380.24	Calculated Property
η	0.0010152	Pa×s	397.74	Calculated Property
η	0.0007977	Pa×s	415.25	Calculated Property
η	0.0006391	Pa×s	432.76	Calculated Property
η	0.0005210	Pa×s	450.27	Calculated Property
η	0.0004313	Pa×s	467.77	Calculated Property
η	0.0003619	Pa×s	485.28	Calculated Property
η	0.0003074	Pa×s	502.79	Calculated Property
η	0.0002640	Pa×s	520.29	Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.