Chemical Properties of 2-Hydroxyisocaproic acid, acetate

InChI

InChI=1S/C8H14O4/c1-5(2)4-7(8(10)11)12-6(3)9/h5,7H,4H2,1-3H3,(H,10,11)

InChI Key

IQAAMERVQHMVBU-UHFFFAOYSA-N

Formula

C8H14O4

SMILES

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

Molecular Weight¹

174.20

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, 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	[204.52; 452.02]	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			2.22610e+01
Coefficient B			7.71660e-01
Coefficient C			-3.95800e-04
Coefficient D			5.39000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	204.52	J/mol×K	273.00	Calculated Property
Cp,gas	248.11	J/mol×K	353.78	Calculated Property
Cp,gas	287.27	J/mol×K	434.56	Calculated Property
Cp,gas	322.19	J/mol×K	515.33	Calculated Property
Cp,gas	353.03	J/mol×K	596.11	Calculated Property
Cp,gas	379.96	J/mol×K	676.89	Calculated Property
Cp,gas	403.15	J/mol×K	757.67	Calculated Property
Cp,gas	422.78	J/mol×K	838.44	Calculated Property
Cp,gas	439.01	J/mol×K	919.22	Calculated Property
Cp,gas	452.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023459; 0.0002315]	Pa×s	[352.85; 547.53]	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			-1.25678e+01
Coefficient B			2.29802e+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.			352.85
Temperature range, max.			547.53
η	0.0023459	Pa×s	352.85	Calculated Property
η	0.0016104	Pa×s	374.48	Calculated Property
η	0.0011518	Pa×s	396.11	Calculated Property
η	0.0008530	Pa×s	417.74	Calculated Property
η	0.0006506	Pa×s	439.38	Calculated Property
η	0.0005090	Pa×s	461.01	Calculated Property
η	0.0004071	Pa×s	482.64	Calculated Property
η	0.0003319	Pa×s	504.27	Calculated Property
η	0.0002752	Pa×s	525.90	Calculated Property
η	0.0002315	Pa×s	547.53	Calculated Property

Similar Compounds

Find more compounds similar to 2-Hydroxyisocaproic acid, acetate.

Sources

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

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