Chemical Properties of 4-Methyl-4-phenyl-2-pentanol

InChI

InChI=1S/C12H18O/c1-10(13)9-12(2,3)11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3

InChI Key

NCYQVRNLBAYSLE-UHFFFAOYSA-N

Formula

C12H18O

SMILES

CC(O)CC(C)(C)c1ccccc1

Molecular Weight¹

178.28

• ω : Acentric Factor.
• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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 Volume, Standard Gibbs free energy of formation 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	[213.52; 540.57]	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			-6.27890e+01
Coefficient B			1.23066e+00
Coefficient C			-8.65600e-04
Coefficient D			2.38300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	213.52	J/mol×K	273.00	Calculated Property
Cp,gas	274.81	J/mol×K	353.78	Calculated Property
Cp,gas	328.10	J/mol×K	434.56	Calculated Property
Cp,gas	374.15	J/mol×K	515.33	Calculated Property
Cp,gas	413.71	J/mol×K	596.11	Calculated Property
Cp,gas	447.54	J/mol×K	676.89	Calculated Property
Cp,gas	476.38	J/mol×K	757.67	Calculated Property
Cp,gas	501.00	J/mol×K	838.44	Calculated Property
Cp,gas	522.15	J/mol×K	919.22	Calculated Property
Cp,gas	540.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0192526; 0.0000942]	Pa×s	[299.66; 554.08]	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			-1.55357e+01
Coefficient B			3.47173e+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.			299.66
Temperature range, max.			554.08
η	0.0192526	Pa×s	299.66	Calculated Property
η	0.0070916	Pa×s	327.93	Calculated Property
η	0.0030608	Pa×s	356.20	Calculated Property
η	0.0014949	Pa×s	384.47	Calculated Property
η	0.0008054	Pa×s	412.74	Calculated Property
η	0.0004697	Pa×s	441.01	Calculated Property
η	0.0002923	Pa×s	469.28	Calculated Property
η	0.0001920	Pa×s	497.55	Calculated Property
η	0.0001319	Pa×s	525.81	Calculated Property
η	0.0000942	Pa×s	554.08	Calculated Property

Similar Compounds

Find more compounds similar to 4-Methyl-4-phenyl-2-pentanol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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