Chemical Properties of 2,3,5,6-(CH3)4-C6H-COOCH3

InChI

InChI=1S/C12H16O2/c1-7-6-8(2)10(4)11(9(7)3)12(13)14-5/h6H,1-5H3

InChI Key

GMSOGDJHFPQOBM-UHFFFAOYSA-N

Formula

C12H16O2

SMILES

COC(=O)c1c(C)c(C)cc(C)c1C

Molecular Weight¹

192.26

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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).
• 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	[229.33; 515.84]	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			4.06800e+01
Coefficient B			7.72200e-01
Coefficient C			-2.97440e-04
Coefficient D			4.00000e-10
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	229.33	J/mol×K	273.00	Calculated Property
Cp,gas	276.66	J/mol×K	353.78	Calculated Property
Cp,gas	320.11	J/mol×K	434.56	Calculated Property
Cp,gas	359.68	J/mol×K	515.33	Calculated Property
Cp,gas	395.39	J/mol×K	596.11	Calculated Property
Cp,gas	427.22	J/mol×K	676.89	Calculated Property
Cp,gas	455.18	J/mol×K	757.67	Calculated Property
Cp,gas	479.27	J/mol×K	838.44	Calculated Property
Cp,gas	499.49	J/mol×K	919.22	Calculated Property
Cp,gas	515.84	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010888; 0.0001779]	Pa×s	[343.83; 550.63]	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			-1.16462e+01
Coefficient B			1.65846e+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.			343.83
Temperature range, max.			550.63
η	0.0010888	Pa×s	343.83	Calculated Property
η	0.0008049	Pa×s	366.81	Calculated Property
η	0.0006166	Pa×s	389.79	Calculated Property
η	0.0004865	Pa×s	412.76	Calculated Property
η	0.0003936	Pa×s	435.74	Calculated Property
η	0.0003253	Pa×s	458.72	Calculated Property
η	0.0002738	Pa×s	481.70	Calculated Property
η	0.0002340	Pa×s	504.68	Calculated Property
η	0.0002028	Pa×s	527.65	Calculated Property
η	0.0001779	Pa×s	550.63	Calculated Property

Similar Compounds

Find more compounds similar to 2,3,5,6-(CH3)4-C6H-COOCH3.

Sources

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

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