Chemical Properties of Guaifenesin M (des-methyl)

InChI

InChI=1S/C9H12O4/c10-5-7(11)6-13-9-4-2-1-3-8(9)12/h1-4,7,10-12H,5-6H2

InChI Key

YFTRBASNPFHPAJ-UHFFFAOYSA-N

Formula

C9H12O4

SMILES

OCC(O)COc1ccccc1O

Molecular Weight¹

184.19

• 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).
• 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).
• 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 Pressure, Critical Volume, Enthalpy of formation 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	[196.13; 443.92]	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			-1.37180e+01
Coefficient B			9.45200e-01
Coefficient C			-7.06360e-04
Coefficient D			2.18800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	196.13	J/mol×K	273.00	Calculated Property
Cp,gas	241.95	J/mol×K	353.78	Calculated Property
Cp,gas	281.59	J/mol×K	434.56	Calculated Property
Cp,gas	315.73	J/mol×K	515.33	Calculated Property
Cp,gas	345.07	J/mol×K	596.11	Calculated Property
Cp,gas	370.30	J/mol×K	676.89	Calculated Property
Cp,gas	392.10	J/mol×K	757.67	Calculated Property
Cp,gas	411.18	J/mol×K	838.44	Calculated Property
Cp,gas	428.22	J/mol×K	919.22	Calculated Property
Cp,gas	443.92	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003171; 0.0000034]	Pa×s	[458.20; 641.16]	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			-2.39950e+01
Coefficient B			7.30317e+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.			458.20
Temperature range, max.			641.16
η	0.0003171	Pa×s	458.20	Calculated Property
η	0.0001611	Pa×s	478.53	Calculated Property
η	0.0000865	Pa×s	498.86	Calculated Property
η	0.0000488	Pa×s	519.19	Calculated Property
η	0.0000287	Pa×s	539.52	Calculated Property
η	0.0000176	Pa×s	559.84	Calculated Property
η	0.0000111	Pa×s	580.17	Calculated Property
η	0.0000073	Pa×s	600.50	Calculated Property
η	0.0000049	Pa×s	620.83	Calculated Property
η	0.0000034	Pa×s	641.16	Calculated Property

Similar Compounds

Find more compounds similar to Guaifenesin M (des-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

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