Chemical Properties of 2,2-Dimethyl-1-phenyl-1-propanol (CAS 3835-64-1)

InChI

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

InChI Key

YBVRFTBNIZWMSK-UHFFFAOYSA-N

Formula

C11H16O

SMILES

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

Molecular Weight¹

164.24

CAS

3835-64-1

Other Names

• Benzenemethanol, «alpha»-(1,1-dimethylethyl)-
• 1-Phenyl-2,2-dimethyl-1-propanol
• tert-Butylphenylmethanol

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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_boilr : Boiling point at reduced pressure (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

Property	Value	Unit	Source
ω	0.5628		Relay (1.0) Calculated Property
ΔfG°	17.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-228.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.44	kJ/mol	Joback Calculated Property
ΔvapH°	76.70	kJ/mol	Relay (1.0) Calculated Property
IE	8.84	eV	Relay (1.0) Calculated Property
log10WS	-2.15		Relay (1.0) Calculated Property
logPoct/wat	2.766		Crippen Calculated Property
McVol	147.960	ml/mol	McGowan Calculated Property
Pc	3005.73	kPa	Joback Calculated Property
Tboil	492.36	K	Relay (1.0) Calculated Property
Tc	728.78	K	Relay (1.0) Calculated Property
Tfus	[318.00; 323.65]	K
Tfus	318.00 ± 2.00	K	NIST
Tfus	323.65 ± 2.00	K	NIST
Vc	0.527	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[362.20; 435.39]	J/mol×K	[566.27; 771.45]
Cp,gas	362.20	J/mol×K	566.27	Joback Calculated Property
Cp,gas	376.58	J/mol×K	600.47	Joback Calculated Property
Cp,gas	390.01	J/mol×K	634.66	Joback Calculated Property
Cp,gas	402.55	J/mol×K	668.86	Joback Calculated Property
Cp,gas	414.26	J/mol×K	703.06	Joback Calculated Property
Cp,gas	425.19	J/mol×K	737.25	Joback Calculated Property
Cp,gas	435.39	J/mol×K	771.45	Joback Calculated Property
η	[0.0000784; 0.0245558]	Pa×s	[288.39; 566.27]
η	0.0245558	Pa×s	288.39	Joback Calculated Property
η	0.0048567	Pa×s	334.70	Joback Calculated Property
η	0.0014244	Pa×s	381.02	Joback Calculated Property
η	0.0005450	Pa×s	427.33	Joback Calculated Property
η	0.0002516	Pa×s	473.64	Joback Calculated Property
η	0.0001333	Pa×s	519.96	Joback Calculated Property
η	0.0000784	Pa×s	566.27	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 2,2-Dimethyl-1-phenyl-1-propanol.

Sources

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

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