Chemical Properties of M-xylene, a,a'-diol 5-chloro-2-hydroxy- (CAS 17026-49-2)

InChI

InChI=1S/C8H9ClO3/c9-7-1-5(3-10)8(12)6(2-7)4-11/h1-2,10-12H,3-4H2

InChI Key

OGMITUYZIACKHB-UHFFFAOYSA-N

Formula

C8H9ClO3

SMILES

OCc1cc(Cl)cc(CO)c1O

Molecular Weight¹

188.61

CAS

17026-49-2

Other Names

• 5-chloro-m-xylene-2,«alpha»,«alpha»'-triol

• 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).
• 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, 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	[178.33; 375.48]	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			4.86200e+00
Coefficient B			7.95300e-01
Coefficient C			-6.46080e-04
Coefficient D			2.21400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	178.33	J/mol×K	273.00	Calculated Property
Cp,gas	215.16	J/mol×K	353.78	Calculated Property
Cp,gas	246.63	J/mol×K	434.56	Calculated Property
Cp,gas	273.43	J/mol×K	515.33	Calculated Property
Cp,gas	296.26	J/mol×K	596.11	Calculated Property
Cp,gas	315.84	J/mol×K	676.89	Calculated Property
Cp,gas	332.84	J/mol×K	757.67	Calculated Property
Cp,gas	347.99	J/mol×K	838.44	Calculated Property
Cp,gas	361.97	J/mol×K	919.22	Calculated Property
Cp,gas	375.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001273; 0.0000043]	Pa×s	[494.66; 646.58]	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			-2.33583e+01
Coefficient B			7.11790e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			494.66
Temperature range, max.			646.58
η	0.0001273	Pa×s	494.66	Calculated Property
η	0.0000792	Pa×s	511.54	Calculated Property
η	0.0000508	Pa×s	528.42	Calculated Property
η	0.0000335	Pa×s	545.30	Calculated Property
η	0.0000226	Pa×s	562.18	Calculated Property
η	0.0000156	Pa×s	579.06	Calculated Property
η	0.0000110	Pa×s	595.94	Calculated Property
η	0.0000079	Pa×s	612.82	Calculated Property
η	0.0000058	Pa×s	629.70	Calculated Property
η	0.0000043	Pa×s	646.58	Calculated Property

Similar Compounds

Find more compounds similar to M-xylene, a,a'-diol 5-chloro-2-hydroxy-.

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.