Chemical Properties of Benzoic acid, 3-methoxy-4-methyl- (CAS 7151-68-0)

InChI

InChI=1S/C9H10O3/c1-6-3-4-7(9(10)11)5-8(6)12-2/h3-5H,1-2H3,(H,10,11)

InChI Key

CEAVPXDEPGAVDA-UHFFFAOYSA-N

Formula

C9H10O3

SMILES

COc1cc(C(=O)O)ccc1C

Molecular Weight¹

166.17

CAS

7151-68-0

Other Names

• 3-Methoxy-4-methylbenzoic acid
• 3-Methoxy-p-toluic acid
• 4-methyl-m-anisic acid

• 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).
• 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 Pressure, 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	[173.28; 388.32]	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			1.95000e+01
Coefficient B			6.48540e-01
Coefficient C			-3.24520e-04
Coefficient D			4.48000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	173.28	J/mol×K	273.00	Calculated Property
Cp,gas	210.31	J/mol×K	353.78	Calculated Property
Cp,gas	243.72	J/mol×K	434.56	Calculated Property
Cp,gas	273.66	J/mol×K	515.33	Calculated Property
Cp,gas	300.27	J/mol×K	596.11	Calculated Property
Cp,gas	323.70	J/mol×K	676.89	Calculated Property
Cp,gas	344.07	J/mol×K	757.67	Calculated Property
Cp,gas	361.54	J/mol×K	838.44	Calculated Property
Cp,gas	376.24	J/mol×K	919.22	Calculated Property
Cp,gas	388.32	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007408; 0.0002104]	Pa×s	[425.48; 583.27]	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			-1.18610e+01
Coefficient B			1.97981e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			425.48
Temperature range, max.			583.27
η	0.0007408	Pa×s	425.48	Calculated Property
η	0.0006162	Pa×s	443.01	Calculated Property
η	0.0005198	Pa×s	460.55	Calculated Property
η	0.0004440	Pa×s	478.08	Calculated Property
η	0.0003835	Pa×s	495.61	Calculated Property
η	0.0003345	Pa×s	513.14	Calculated Property
η	0.0002945	Pa×s	530.68	Calculated Property
η	0.0002614	Pa×s	548.21	Calculated Property
η	0.0002337	Pa×s	565.74	Calculated Property
η	0.0002104	Pa×s	583.27	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 3-methoxy-4-methyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.