Chemical Properties of 3,6-Dichloro-2-propyl phenol (CAS 116632-96-3)

InChI

InChI=1S/C9H10Cl2O/c1-2-3-6-7(10)4-5-8(11)9(6)12/h4-5,12H,2-3H2,1H3

InChI Key

ITRKBGGUVDEKOC-UHFFFAOYSA-N

Formula

C9H10Cl2O

SMILES

CCCc1c(Cl)ccc(Cl)c1O

Molecular Weight¹

205.08

CAS

116632-96-3

• 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[187.95; 398.00]	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			6.26200e+00
Coefficient B			8.29120e-01
Coefficient C			-6.60080e-04
Coefficient D			2.22700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	187.95	J/mol×K	273.00	Calculated Property
Cp,gas	226.83	J/mol×K	353.78	Calculated Property
Cp,gas	260.19	J/mol×K	434.56	Calculated Property
Cp,gas	288.72	J/mol×K	515.33	Calculated Property
Cp,gas	313.13	J/mol×K	596.11	Calculated Property
Cp,gas	334.12	J/mol×K	676.89	Calculated Property
Cp,gas	352.40	J/mol×K	757.67	Calculated Property
Cp,gas	368.67	J/mol×K	838.44	Calculated Property
Cp,gas	383.63	J/mol×K	919.22	Calculated Property
Cp,gas	398.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007683; 0.0000497]	Pa×s	[414.21; 581.47]	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			-1.66936e+01
Coefficient B			3.94420e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			414.21
Temperature range, max.			581.47
η	0.0007683	Pa×s	414.21	Calculated Property
η	0.0005104	Pa×s	432.79	Calculated Property
η	0.0003507	Pa×s	451.38	Calculated Property
η	0.0002483	Pa×s	469.96	Calculated Property
η	0.0001804	Pa×s	488.55	Calculated Property
η	0.0001342	Pa×s	507.13	Calculated Property
η	0.0001019	Pa×s	525.72	Calculated Property
η	0.0000789	Pa×s	544.30	Calculated Property
η	0.0000621	Pa×s	562.89	Calculated Property
η	0.0000497	Pa×s	581.47	Calculated Property

Similar Compounds

Find more compounds similar to 3,6-Dichloro-2-propyl phenol.

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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