Chemical Properties of 2-Methylresorcinol, isoBOC

InChI

InChI=1S/C17H24O6/c1-11(2)9-20-16(18)22-14-7-6-8-15(13(14)5)23-17(19)21-10-12(3)4/h6-8,11-12H,9-10H2,1-5H3

InChI Key

SDOMBJYIKTXHBY-UHFFFAOYSA-N

Formula

C17H24O6

SMILES

Cc1c(OC(=O)OCC(C)C)cccc1OC(=O)OCC(C)C

Molecular Weight¹

324.37

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[376.81; 826.06]	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			8.05820e+01
Coefficient B			1.19680e+00
Coefficient C			-3.93320e-04
Coefficient D			-5.80000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	376.81	J/mol×K	273.00	Calculated Property
Cp,gas	452.19	J/mol×K	353.78	Calculated Property
Cp,gas	521.62	J/mol×K	434.56	Calculated Property
Cp,gas	584.94	J/mol×K	515.33	Calculated Property
Cp,gas	641.96	J/mol×K	596.11	Calculated Property
Cp,gas	692.48	J/mol×K	676.89	Calculated Property
Cp,gas	736.34	J/mol×K	757.67	Calculated Property
Cp,gas	773.35	J/mol×K	838.44	Calculated Property
Cp,gas	803.31	J/mol×K	919.22	Calculated Property
Cp,gas	826.06	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006733; 0.0000525]	Pa×s	[431.93; 690.82]	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			-1.41131e+01
Coefficient B			2.94132e+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.			431.93
Temperature range, max.			690.82
η	0.0006733	Pa×s	431.93	Calculated Property
η	0.0004401	Pa×s	460.70	Calculated Property
η	0.0003024	Pa×s	489.46	Calculated Property
η	0.0002166	Pa×s	518.23	Calculated Property
η	0.0001607	Pa×s	546.99	Calculated Property
η	0.0001229	Pa×s	575.76	Calculated Property
η	0.0000963	Pa×s	604.52	Calculated Property
η	0.0000772	Pa×s	633.29	Calculated Property
η	0.0000631	Pa×s	662.05	Calculated Property
η	0.0000525	Pa×s	690.82	Calculated Property

Similar Compounds

Find more compounds similar to 2-Methylresorcinol, isoBOC.

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

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