Chemical Properties of 2,2-Dimethyl-1-phenyl-1-propanol

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

164.25

Other Names

• 1-Phenyl-2,2-dimethyl-1-propanol
• Benzenemethanol, «alpha»-(1,1-dimethylethyl)-
• 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°	77.52	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	728.27	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	0.523	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

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	[0.0075150; 0.0001045]	Pa×s	[320.82; 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.			320.82
Temperature range, max.			540.20
η	0.0075150	Pa×s	320.82	Calculated Property
η	0.0035734	Pa×s	345.20	Calculated Property
η	0.0018742	Pa×s	369.58	Calculated Property
η	0.0010647	Pa×s	393.95	Calculated Property
η	0.0006461	Pa×s	418.33	Calculated Property
η	0.0004142	Pa×s	442.70	Calculated Property
η	0.0002782	Pa×s	467.08	Calculated Property
η	0.0001943	Pa×s	491.45	Calculated Property
η	0.0001404	Pa×s	515.83	Calculated Property
η	0.0001045	Pa×s	540.20	Calculated Property

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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