Chemical Properties of 4-CHLORO-O-CRESOL

InChI

InChI=1S/C7H7ClO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3

InChI Key

RHPUJHQBPORFGV-UHFFFAOYSA-N

Formula

C7H7ClO

SMILES

Cc1cc(Cl)ccc1O

Molecular Weight¹

142.59

Other Names

• 4-Chloro-2-cresol
• 4-Chloro-2-methylphenol
• Phenol, 4-chloro-2-methyl-
• o-Cresol, 4-chloro-
• p-Chloro-o-cresol

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[129.56; 289.59]	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			-1.91100e+01
Coefficient B			6.91820e-01
Coefficient C			-5.97920e-04
Coefficient D			2.14800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	129.56	J/mol×K	273.00	Calculated Property
Cp,gas	160.32	J/mol×K	353.78	Calculated Property
Cp,gas	186.24	J/mol×K	434.56	Calculated Property
Cp,gas	208.02	J/mol×K	515.33	Calculated Property
Cp,gas	226.32	J/mol×K	596.11	Calculated Property
Cp,gas	241.84	J/mol×K	676.89	Calculated Property
Cp,gas	255.24	J/mol×K	757.67	Calculated Property
Cp,gas	267.22	J/mol×K	838.44	Calculated Property
Cp,gas	278.44	J/mol×K	919.22	Calculated Property
Cp,gas	289.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0060818; 0.0000748]	Pa×s	[320.15; 522.49]	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			-1.64591e+01
Coefficient B			3.63582e+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.			320.15
Temperature range, max.			522.49
η	0.0060818	Pa×s	320.15	Calculated Property
η	0.0028868	Pa×s	342.63	Calculated Property
η	0.0015019	Pa×s	365.11	Calculated Property
η	0.0008429	Pa×s	387.60	Calculated Property
η	0.0005040	Pa×s	410.08	Calculated Property
η	0.0003179	Pa×s	432.56	Calculated Property
η	0.0002099	Pa×s	455.04	Calculated Property
η	0.0001441	Pa×s	477.53	Calculated Property
η	0.0001023	Pa×s	500.01	Calculated Property
η	0.0000748	Pa×s	522.49	Calculated Property

Similar Compounds

Find more compounds similar to 4-CHLORO-O-CRESOL.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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