Chemical Properties of Benzoic acid, 4-hydroxy-, 2-methylbutyl ester

InChI

InChI=1S/C12H16O3/c1-3-9(2)8-15-12(14)10-4-6-11(13)7-5-10/h4-7,9,13H,3,8H2,1-2H3

InChI Key

YCVMFKRVGOAHAA-UHFFFAOYSA-N

Formula

C12H16O3

SMILES

CCC(C)COC(=O)c1ccc(O)cc1

Molecular Weight¹

208.25

• 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).
• 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 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	[235.70; 550.96]	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			-2.71180e+01
Coefficient B			1.17064e+00
Coefficient C			-8.25160e-04
Coefficient D			2.32600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	235.70	J/mol×K	273.00	Calculated Property
Cp,gas	294.05	J/mol×K	353.78	Calculated Property
Cp,gas	344.86	J/mol×K	434.56	Calculated Property
Cp,gas	388.85	J/mol×K	515.33	Calculated Property
Cp,gas	426.77	J/mol×K	596.11	Calculated Property
Cp,gas	459.34	J/mol×K	676.89	Calculated Property
Cp,gas	487.31	J/mol×K	757.67	Calculated Property
Cp,gas	511.42	J/mol×K	838.44	Calculated Property
Cp,gas	532.39	J/mol×K	919.22	Calculated Property
Cp,gas	550.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015467; 0.0000298]	Pa×s	[390.47; 600.04]	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			-1.77762e+01
Coefficient B			4.41410e+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.			390.47
Temperature range, max.			600.04
η	0.0015467	Pa×s	390.47	Calculated Property
η	0.0008187	Pa×s	413.76	Calculated Property
η	0.0004637	Pa×s	437.04	Calculated Property
η	0.0002782	Pa×s	460.33	Calculated Property
η	0.0001753	Pa×s	483.61	Calculated Property
η	0.0001153	Pa×s	506.90	Calculated Property
η	0.0000786	Pa×s	530.18	Calculated Property
η	0.0000554	Pa×s	553.47	Calculated Property
η	0.0000402	Pa×s	576.75	Calculated Property
η	0.0000298	Pa×s	600.04	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 4-hydroxy-, 2-methylbutyl ester.

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.