Chemical Properties of 1,2-Benzenediol, 4,5-dichloro- (CAS 3428-24-8)

InChI

InChI=1S/C6H4Cl2O2/c7-3-1-5(9)6(10)2-4(3)8/h1-2,9-10H

InChI Key

ACCHWUWBKYGKNM-UHFFFAOYSA-N

Formula

C6H4Cl2O2

SMILES

Oc1cc(Cl)c(Cl)cc1O

Molecular Weight¹

179.00

CAS

3428-24-8

Other Names

• Pyrocatechol, 4,5-dichloro-
• 4,5-Dichlorocatechol
• 4,5-Dichloropyrocatechol
• 4,5-Dichloro-benzene-1,2-diol
• 4,5-Dichloro-1,2-benzenediol

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• 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 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[138.64; 268.69]	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			-1.42300e+01
Coefficient B			7.58200e-01
Coefficient C			-8.20280e-04
Coefficient D			3.45000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	138.64	J/mol×K	273.00	Calculated Property
Cp,gas	166.62	J/mol×K	353.78	Calculated Property
Cp,gas	188.66	J/mol×K	434.56	Calculated Property
Cp,gas	205.87	J/mol×K	515.33	Calculated Property
Cp,gas	219.34	J/mol×K	596.11	Calculated Property
Cp,gas	230.15	J/mol×K	676.89	Calculated Property
Cp,gas	239.40	J/mol×K	757.67	Calculated Property
Cp,gas	248.18	J/mol×K	838.44	Calculated Property
Cp,gas	257.58	J/mol×K	919.22	Calculated Property
Cp,gas	268.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001179; 0.0000082]	Pa×s	[479.60; 603.54]	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			-2.20266e+01
Coefficient B			6.22576e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			479.60
Temperature range, max.			603.54
η	0.0001179	Pa×s	479.60	Calculated Property
η	0.0000821	Pa×s	493.37	Calculated Property
η	0.0000583	Pa×s	507.14	Calculated Property
η	0.0000421	Pa×s	520.91	Calculated Property
η	0.0000310	Pa×s	534.69	Calculated Property
η	0.0000231	Pa×s	548.46	Calculated Property
η	0.0000175	Pa×s	562.23	Calculated Property
η	0.0000134	Pa×s	576.00	Calculated Property
η	0.0000104	Pa×s	589.77	Calculated Property
η	0.0000082	Pa×s	603.54	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Benzenediol, 4,5-dichloro-.

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.