Chemical Properties of O-cresol, 4-(1-methylhexyl)-

InChI

InChI=1S/C14H22O/c1-4-5-6-7-11(2)13-8-9-14(15)12(3)10-13/h8-11,15H,4-7H2,1-3H3

InChI Key

ZMAWSFRVKHOOJU-UHFFFAOYSA-N

Formula

C14H22O

SMILES

CCCCCC(C)c1ccc(O)c(C)c1

Molecular Weight¹

206.33

• 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).
• IE : Ionization energy (eV).
• 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, Log10 of Water solubility in mol/l 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	[264.34; 642.99]	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			-4.00460e+01
Coefficient B			1.35596e+00
Coefficient C			-9.61520e-04
Coefficient D			2.88600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	264.34	J/mol×K	273.00	Calculated Property
Cp,gas	332.10	J/mol×K	353.78	Calculated Property
Cp,gas	391.30	J/mol×K	434.56	Calculated Property
Cp,gas	442.87	J/mol×K	515.33	Calculated Property
Cp,gas	487.72	J/mol×K	596.11	Calculated Property
Cp,gas	526.75	J/mol×K	676.89	Calculated Property
Cp,gas	560.88	J/mol×K	757.67	Calculated Property
Cp,gas	591.02	J/mol×K	838.44	Calculated Property
Cp,gas	618.09	J/mol×K	919.22	Calculated Property
Cp,gas	642.99	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015604; 0.0000351]	Pa×s	[383.20; 588.93]	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			-1.73225e+01
Coefficient B			4.16144e+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.			383.20
Temperature range, max.			588.93
η	0.0015604	Pa×s	383.20	Calculated Property
η	0.0008467	Pa×s	406.06	Calculated Property
η	0.0004904	Pa×s	428.92	Calculated Property
η	0.0003001	Pa×s	451.78	Calculated Property
η	0.0001926	Pa×s	474.63	Calculated Property
η	0.0001287	Pa×s	497.49	Calculated Property
η	0.0000892	Pa×s	520.35	Calculated Property
η	0.0000637	Pa×s	543.21	Calculated Property
η	0.0000467	Pa×s	566.07	Calculated Property
η	0.0000351	Pa×s	588.93	Calculated Property

Similar Compounds

Find more compounds similar to O-cresol, 4-(1-methylhexyl)-.

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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