Chemical Properties of 4-Chloro-2-cyclohexylphenol (CAS 13081-17-9)

InChI

InChI=1S/C12H15ClO/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h6-9,14H,1-5H2

InChI Key

XRUHXAQEOJDPEG-UHFFFAOYSA-N

Formula

C12H15ClO

SMILES

Oc1ccc(Cl)cc1C1CCCCC1

Molecular Weight¹

210.70

CAS

13081-17-9

Other Names

• Phenol, 4-chloro-2-cyclohexyl-
• 2-Cyclohexyl-4-chlorophenol

• 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	[197.51; 532.62]	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			-8.92600e+01
Coefficient B			1.28890e+00
Coefficient C			-9.50920e-04
Coefficient D			2.83900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	197.51	J/mol×K	273.00	Calculated Property
Cp,gas	260.28	J/mol×K	353.78	Calculated Property
Cp,gas	314.57	J/mol×K	434.56	Calculated Property
Cp,gas	361.27	J/mol×K	515.33	Calculated Property
Cp,gas	401.30	J/mol×K	596.11	Calculated Property
Cp,gas	435.54	J/mol×K	676.89	Calculated Property
Cp,gas	464.89	J/mol×K	757.67	Calculated Property
Cp,gas	490.26	J/mol×K	838.44	Calculated Property
Cp,gas	512.54	J/mol×K	919.22	Calculated Property
Cp,gas	532.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010666; 0.0000314]	Pa×s	[412.96; 629.49]	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			-1.70885e+01
Coefficient B			4.23089e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			412.96
Temperature range, max.			629.49
η	0.0010666	Pa×s	412.96	Calculated Property
η	0.0006068	Pa×s	437.02	Calculated Property
η	0.0003662	Pa×s	461.08	Calculated Property
η	0.0002323	Pa×s	485.14	Calculated Property
η	0.0001538	Pa×s	509.20	Calculated Property
η	0.0001057	Pa×s	533.25	Calculated Property
η	0.0000751	Pa×s	557.31	Calculated Property
η	0.0000548	Pa×s	581.37	Calculated Property
η	0.0000411	Pa×s	605.43	Calculated Property
η	0.0000314	Pa×s	629.49	Calculated Property

Similar Compounds

Find more compounds similar to 4-Chloro-2-cyclohexylphenol.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.