Chemical Properties of 2-Hydroxyisocaproic acid, methyl ether, methyl ester

InChI

InChI=1S/C8H16O3/c1-6(2)5-7(10-3)8(9)11-4/h6-7H,5H2,1-4H3

InChI Key

MRITUNXBFHKLSY-UHFFFAOYSA-N

Formula

C8H16O3

SMILES

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

Molecular Weight¹

160.21

• 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).
• 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).
• 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, 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	[206.30; 459.74]	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			4.31610e+01
Coefficient B			6.57680e-01
Coefficient C			-2.12200e-04
Coefficient D			-2.89000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	206.30	J/mol×K	273.00	Calculated Property
Cp,gas	248.00	J/mol×K	353.78	Calculated Property
Cp,gas	286.52	J/mol×K	434.56	Calculated Property
Cp,gas	321.78	J/mol×K	515.33	Calculated Property
Cp,gas	353.68	J/mol×K	596.11	Calculated Property
Cp,gas	382.15	J/mol×K	676.89	Calculated Property
Cp,gas	407.08	J/mol×K	757.67	Calculated Property
Cp,gas	428.38	J/mol×K	838.44	Calculated Property
Cp,gas	445.97	J/mol×K	919.22	Calculated Property
Cp,gas	459.74	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0113332; 0.0002034]	Pa×s	[214.48; 448.92]	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			-1.21785e+01
Coefficient B			1.65117e+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.			214.48
Temperature range, max.			448.92
η	0.0113332	Pa×s	214.48	Calculated Property
η	0.0049234	Pa×s	240.53	Calculated Property
η	0.0025173	Pa×s	266.58	Calculated Property
η	0.0014504	Pa×s	292.63	Calculated Property
η	0.0009145	Pa×s	318.68	Calculated Property
η	0.0006182	Pa×s	344.73	Calculated Property
η	0.0004416	Pa×s	370.77	Calculated Property
η	0.0003296	Pa×s	396.82	Calculated Property
η	0.0002551	Pa×s	422.87	Calculated Property
η	0.0002034	Pa×s	448.92	Calculated Property

Similar Compounds

Find more compounds similar to 2-Hydroxyisocaproic acid, methyl ether, methyl ester.

Sources

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

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