Chemical Properties of 2,3,6-Trichloro-4-propylphenol (CAS 116632-99-6)

InChI

InChI=1S/C9H9Cl3O/c1-2-3-5-4-6(10)9(13)8(12)7(5)11/h4,13H,2-3H2,1H3

InChI Key

GJOZUMXBGLUAJG-UHFFFAOYSA-N

Formula

C9H9Cl3O

SMILES

CCCc1cc(Cl)c(O)c(Cl)c1Cl

Molecular Weight¹

239.53

CAS

116632-99-6

• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[333.32; 382.11]	J/mol×K	[640.05; 877.33]
Cp,gas	333.32	J/mol×K	640.05	Joback Calculated Property
Cp,gas	342.69	J/mol×K	679.60	Joback Calculated Property
Cp,gas	351.47	J/mol×K	719.14	Joback Calculated Property
Cp,gas	359.72	J/mol×K	758.69	Joback Calculated Property
Cp,gas	367.53	J/mol×K	798.24	Joback Calculated Property
Cp,gas	374.96	J/mol×K	837.78	Joback Calculated Property
Cp,gas	382.11	J/mol×K	877.33	Joback Calculated Property
η	[0.0000308; 0.0003944]	Pa×s	[456.65; 640.05]
η	0.0003944	Pa×s	456.65	Joback Calculated Property
η	0.0002256	Pa×s	487.22	Joback Calculated Property
η	0.0001379	Pa×s	517.78	Joback Calculated Property
η	0.0000890	Pa×s	548.35	Joback Calculated Property
η	0.0000602	Pa×s	578.92	Joback Calculated Property
η	0.0000423	Pa×s	609.48	Joback Calculated Property
η	0.0000308	Pa×s	640.05	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,3,6-Trichloro-4-propylphenol.

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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