Chemical Properties of Guaifenesin M (OH)

InChI

InChI=1S/C9H12O5/c10-4-7(12)5-14-9-2-1-6(11)3-8(9)13/h1-3,7,10-13H,4-5H2

InChI Key

KTVVVQFVVLMWAL-UHFFFAOYSA-N

Formula

C9H12O5

SMILES

OCC(O)COc1ccc(O)cc1O

Molecular Weight¹

200.19

• 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).
• 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, 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	[213.02; 466.34]	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			-2.26380e+01
Coefficient B			1.09980e+00
Coefficient C			-9.62720e-04
Coefficient D			3.51900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	213.02	J/mol×K	273.00	Calculated Property
Cp,gas	261.54	J/mol×K	353.78	Calculated Property
Cp,gas	302.36	J/mol×K	434.56	Calculated Property
Cp,gas	336.62	J/mol×K	515.33	Calculated Property
Cp,gas	365.41	J/mol×K	596.11	Calculated Property
Cp,gas	389.84	J/mol×K	676.89	Calculated Property
Cp,gas	411.04	J/mol×K	757.67	Calculated Property
Cp,gas	430.12	J/mol×K	838.44	Calculated Property
Cp,gas	448.18	J/mol×K	919.22	Calculated Property
Cp,gas	466.34	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000042; 0.0000002]	Pa×s	[569.92; 704.24]	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			-2.96117e+01
Coefficient B			9.81595e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			569.92
Temperature range, max.			704.24
η	0.0000042	Pa×s	569.92	Calculated Property
η	0.0000027	Pa×s	584.84	Calculated Property
η	0.0000018	Pa×s	599.77	Calculated Property
η	0.0000012	Pa×s	614.69	Calculated Property
η	0.0000008	Pa×s	629.62	Calculated Property
η	0.0000006	Pa×s	644.54	Calculated Property
η	0.0000004	Pa×s	659.47	Calculated Property
η	0.0000003	Pa×s	674.39	Calculated Property
η	0.0000002	Pa×s	689.32	Calculated Property
η	0.0000002	Pa×s	704.24	Calculated Property

Similar Compounds

Find more compounds similar to Guaifenesin M (OH).

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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