Chemical Properties of Propyl 2-hydroxy-4-methoxy-6-methylbenzoate

InChI

InChI=1S/C12H16O4/c1-4-5-16-12(14)11-8(2)6-9(15-3)7-10(11)13/h6-7,13H,4-5H2,1-3H3

InChI Key

LCPRSHPZBRBFJG-UHFFFAOYSA-N

Formula

C12H16O4

SMILES

CCCOC(=O)c1c(C)cc(OC)cc1O

Molecular Weight¹

224.26

• 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).
• 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, Ionization energy 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	[256.52; 562.84]	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			2.86620e+01
Coefficient B			9.82560e-01
Coefficient C			-5.76880e-04
Coefficient D			1.28500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	256.52	J/mol×K	273.00	Calculated Property
Cp,gas	309.76	J/mol×K	353.78	Calculated Property
Cp,gas	357.25	J/mol×K	434.56	Calculated Property
Cp,gas	399.39	J/mol×K	515.33	Calculated Property
Cp,gas	436.60	J/mol×K	596.11	Calculated Property
Cp,gas	469.28	J/mol×K	676.89	Calculated Property
Cp,gas	497.84	J/mol×K	757.67	Calculated Property
Cp,gas	522.68	J/mol×K	838.44	Calculated Property
Cp,gas	544.21	J/mol×K	919.22	Calculated Property
Cp,gas	562.84	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003169; 0.0000232]	Pa×s	[452.74; 619.61]	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			-1.77662e+01
Coefficient B			4.39585e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			452.74
Temperature range, max.			619.61
η	0.0003169	Pa×s	452.74	Calculated Property
η	0.0002163	Pa×s	471.28	Calculated Property
η	0.0001520	Pa×s	489.82	Calculated Property
η	0.0001095	Pa×s	508.36	Calculated Property
η	0.0000808	Pa×s	526.90	Calculated Property
η	0.0000609	Pa×s	545.45	Calculated Property
η	0.0000467	Pa×s	563.99	Calculated Property
η	0.0000364	Pa×s	582.53	Calculated Property
η	0.0000289	Pa×s	601.07	Calculated Property
η	0.0000232	Pa×s	619.61	Calculated Property

Similar Compounds

Find more compounds similar to Propyl 2-hydroxy-4-methoxy-6-methylbenzoate.

Sources

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

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