Chemical Properties of Benzenemethanol, 4-(1,1-dimethylethyl)- (CAS 877-65-6)

InChI

InChI=1S/C11H16O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3

InChI Key

FVEINXLJOJPHLH-UHFFFAOYSA-N

Formula

C11H16O

SMILES

CC(C)(C)c1ccc(CO)cc1

Molecular Weight¹

164.24

CAS

877-65-6

Other Names

• p-tert-Butylbenzyl alcohol
• 4-tert-Butylbenzyl alcohol
• 4(t-Butyl)benzylalcohol

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[195.17; 485.40]	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			-4.58990e+01
Coefficient B			1.07026e+00
Coefficient C			-7.40960e-04
Coefficient D			2.02000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	195.17	J/mol×K	273.00	Calculated Property
Cp,gas	248.94	J/mol×K	353.78	Calculated Property
Cp,gas	295.84	J/mol×K	434.56	Calculated Property
Cp,gas	336.51	J/mol×K	515.33	Calculated Property
Cp,gas	371.58	J/mol×K	596.11	Calculated Property
Cp,gas	401.70	J/mol×K	676.89	Calculated Property
Cp,gas	427.51	J/mol×K	757.67	Calculated Property
Cp,gas	449.63	J/mol×K	838.44	Calculated Property
Cp,gas	468.72	J/mol×K	919.22	Calculated Property
Cp,gas	485.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0083872; 0.0001094]	Pa×s	[315.91; 541.78]	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			-1.51906e+01
Coefficient B			3.28849e+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.			315.91
Temperature range, max.			541.78
η	0.0083872	Pa×s	315.91	Calculated Property
η	0.0038986	Pa×s	341.01	Calculated Property
η	0.0020129	Pa×s	366.10	Calculated Property
η	0.0011313	Pa×s	391.20	Calculated Property
η	0.0006815	Pa×s	416.29	Calculated Property
η	0.0004349	Pa×s	441.39	Calculated Property
η	0.0002913	Pa×s	466.49	Calculated Property
η	0.0002033	Pa×s	491.58	Calculated Property
η	0.0001469	Pa×s	516.68	Calculated Property
η	0.0001094	Pa×s	541.78	Calculated Property

Similar Compounds

Find more compounds similar to Benzenemethanol, 4-(1,1-dimethylethyl)-.

Sources

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

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