Chemical Properties of 2-Methylvaleric acid, phenyl ester

InChI

InChI=1S/C12H16O2/c1-3-7-10(2)12(13)14-11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3

InChI Key

YVZIDGHMKYYHQQ-UHFFFAOYSA-N

Formula

C12H16O2

SMILES

CCCC(C)C(=O)Oc1ccccc1

Molecular Weight¹

192.25

• 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_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 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	[218.81; 528.54]	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			-1.81980e+01
Coefficient B			1.01604e+00
Coefficient C			-5.68800e-04
Coefficient D			9.95000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	218.81	J/mol×K	273.00	Calculated Property
Cp,gas	274.47	J/mol×K	353.78	Calculated Property
Cp,gas	324.08	J/mol×K	434.56	Calculated Property
Cp,gas	367.96	J/mol×K	515.33	Calculated Property
Cp,gas	406.43	J/mol×K	596.11	Calculated Property
Cp,gas	439.79	J/mol×K	676.89	Calculated Property
Cp,gas	468.37	J/mol×K	757.67	Calculated Property
Cp,gas	492.48	J/mol×K	838.44	Calculated Property
Cp,gas	512.43	J/mol×K	919.22	Calculated Property
Cp,gas	528.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0048185; 0.0001818]	Pa×s	[278.75; 536.56]	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			-1.21562e+01
Coefficient B			1.90132e+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.			278.75
Temperature range, max.			536.56
η	0.0048185	Pa×s	278.75	Calculated Property
η	0.0025519	Pa×s	307.40	Calculated Property
η	0.0015062	Pa×s	336.04	Calculated Property
η	0.0009658	Pa×s	364.69	Calculated Property
η	0.0006606	Pa×s	393.33	Calculated Property
η	0.0004758	Pa×s	421.98	Calculated Property
η	0.0003573	Pa×s	450.63	Calculated Property
η	0.0002777	Pa×s	479.27	Calculated Property
η	0.0002220	Pa×s	507.92	Calculated Property
η	0.0001818	Pa×s	536.56	Calculated Property

Similar Compounds

Find more compounds similar to 2-Methylvaleric acid, phenyl ester.

Sources

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

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