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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[362.29; 435.47]	J/mol×K	[566.47; 771.72]
Cp,gas	362.29	J/mol×K	566.47	Joback Calculated Property
Cp,gas	376.66	J/mol×K	600.68	Joback Calculated Property
Cp,gas	390.09	J/mol×K	634.89	Joback Calculated Property
Cp,gas	402.64	J/mol×K	669.10	Joback Calculated Property
Cp,gas	414.35	J/mol×K	703.30	Joback Calculated Property
Cp,gas	425.27	J/mol×K	737.51	Joback Calculated Property
Cp,gas	435.47	J/mol×K	771.72	Joback Calculated Property
η	[0.0000782; 0.0245558]	Pa×s	[288.39; 566.47]
η	0.0245558	Pa×s	288.39	Joback Calculated Property
η	0.0048519	Pa×s	334.74	Joback Calculated Property
η	0.0014222	Pa×s	381.08	Joback Calculated Property
η	0.0005440	Pa×s	427.43	Joback Calculated Property
η	0.0002511	Pa×s	473.78	Joback Calculated Property
η	0.0001330	Pa×s	520.12	Joback Calculated Property
η	0.0000782	Pa×s	566.47	Joback 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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