Chemical Properties of Phenol, 4-(1-ethylheptyl)

InChI

InChI=1S/C15H24O/c1-3-5-6-7-8-13(4-2)14-9-11-15(16)12-10-14/h9-13,16H,3-8H2,1-2H3

InChI Key

SHAWKHSYQINGHM-UHFFFAOYSA-N

Formula

C15H24O

SMILES

CCCCCCC(CC)c1ccc(O)cc1

Molecular Weight¹

220.36

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• 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

Cheméo can also estimate Critical Pressure, Standard Gibbs free energy of formation, Acentric Factor 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	[283.00; 697.63]	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			-5.52540e+01
Coefficient B			1.51044e+00
Coefficient C			-1.08296e-03
Coefficient D			3.25400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	283.00	J/mol×K	273.00	Calculated Property
Cp,gas	357.97	J/mol×K	353.78	Calculated Property
Cp,gas	423.31	J/mol×K	434.56	Calculated Property
Cp,gas	480.06	J/mol×K	515.33	Calculated Property
Cp,gas	529.24	J/mol×K	596.11	Calculated Property
Cp,gas	571.88	J/mol×K	676.89	Calculated Property
Cp,gas	609.00	J/mol×K	757.67	Calculated Property
Cp,gas	641.65	J/mol×K	838.44	Calculated Property
Cp,gas	670.85	J/mol×K	919.22	Calculated Property
Cp,gas	697.63	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018851; 0.0000318]	Pa×s	[381.95; 598.66]	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			-1.75498e+01
Coefficient B			4.30686e+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.			381.95
Temperature range, max.			598.66
η	0.0018851	Pa×s	381.95	Calculated Property
η	0.0009659	Pa×s	406.03	Calculated Property
η	0.0005334	Pa×s	430.11	Calculated Property
η	0.0003137	Pa×s	454.19	Calculated Property
η	0.0001946	Pa×s	478.26	Calculated Property
η	0.0001264	Pa×s	502.34	Calculated Property
η	0.0000854	Pa×s	526.42	Calculated Property
η	0.0000597	Pa×s	550.50	Calculated Property
η	0.0000430	Pa×s	574.58	Calculated Property
η	0.0000318	Pa×s	598.66	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 4-(1-ethylheptyl).

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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