Chemical Properties of 3-Methyl-2-phenylbutane-2-ol (CAS 4383-11-3)

InChI

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

InChI Key

KZVSJCRPDWUPEP-UHFFFAOYSA-N

Formula

C11H16O

SMILES

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

Molecular Weight¹

164.24

CAS

4383-11-3

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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

Property	Value	Unit	Source
ω	0.5841		Relay (1.0) Calculated Property
ΔcH°liquid	-6336.50 ± 2.70	kJ/mol	NIST
ΔfH°gas	-211.30 ± 3.50	kJ/mol	NIST
ΔfH°liquid	-278.70 ± 3.10	kJ/mol	NIST
ΔfusH°	11.44	kJ/mol	Joback Calculated Property
ΔvapH°	[67.40; 67.40]	kJ/mol
ΔvapH°	67.40 ± 1.60	kJ/mol	NIST
ΔvapH°	67.40	kJ/mol	NIST
IE	8.78	eV	Relay (1.0) Calculated Property
log10WS	-1.99		Relay (1.0) Calculated Property
logPoct/wat	2.550		Crippen Calculated Property
McVol	147.960	ml/mol	McGowan Calculated Property
Pc	3005.73	kPa	Joback Calculated Property
Tboil	492.39	K	Relay (1.0) Calculated Property
Tc	720.72	K	Relay (1.0) Calculated Property
Tfus	316.95	K	Relay (1.0) Calculated Property

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	[192.30; 488.98]	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			-6.18800e+01
Coefficient B			1.13566e+00
Coefficient C			-8.11200e-04
Coefficient D			2.26400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	192.30	J/mol×K	273.00	Calculated Property
Cp,gas	248.39	J/mol×K	353.78	Calculated Property
Cp,gas	297.02	J/mol×K	434.56	Calculated Property
Cp,gas	338.92	J/mol×K	515.33	Calculated Property
Cp,gas	374.80	J/mol×K	596.11	Calculated Property
Cp,gas	405.38	J/mol×K	676.89	Calculated Property
Cp,gas	431.37	J/mol×K	757.67	Calculated Property
Cp,gas	453.49	J/mol×K	838.44	Calculated Property
Cp,gas	472.45	J/mol×K	919.22	Calculated Property
Cp,gas	488.98	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0245558; 0.0001045]	Pa×s	[288.39; 540.20]	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			-1.54186e+01
Coefficient B			3.37757e+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.			288.39
Temperature range, max.			540.20
η	0.0245558	Pa×s	288.39	Calculated Property
η	0.0087160	Pa×s	316.37	Calculated Property
η	0.0036609	Pa×s	344.35	Calculated Property
η	0.0017518	Pa×s	372.33	Calculated Property
η	0.0009292	Pa×s	400.31	Calculated Property
η	0.0005355	Pa×s	428.29	Calculated Property
η	0.0003301	Pa×s	456.27	Calculated Property
η	0.0002152	Pa×s	484.25	Calculated Property
η	0.0001471	Pa×s	512.23	Calculated Property
η	0.0001045	Pa×s	540.20	Calculated Property

Similar Compounds

Find more compounds similar to 3-Methyl-2-phenylbutane-2-ol.

Sources

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

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