Chemical Properties of Benzenepropanol, «alpha»,«alpha»-dimethyl- (CAS 103-05-9)

InChI

InChI=1S/C11H16O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3

InChI Key

YXVSKJDFNJFXAJ-UHFFFAOYSA-N

Formula

C11H16O

SMILES

CC(C)(O)CCc1ccccc1

Molecular Weight¹

164.24

CAS

103-05-9

Other Names

• 1-Propanol, 1,1-dimethyl-3-phenyl-
• Benzyl-tert-butanol
• Dimethylphenethylcarbinol
• Dimethylphenylethylcarbinol
• Phenylethyl dimethyl carbinol
• 2-(2-Phenylethyl)-2-propanol
• 2-Butanol, 2-methyl-4-phenyl-
• 2-Methyl-4-phenyl-2-butanol
• «alpha»,«alpha»-Dimethyl-«gamma»-phenylpropyl alcohol
• 1,1-Dimethyl-3-phenyl-1-propanol
• 1,1-Dimethyl-3-phenylpropanol
• Benzyl-t-butanol
• 1,1-Dimethyl-3-phenylpropyl alcohol
• 1-Phenyl-3-methylbutan-3-ol
• 2-Phenethyl-2-propanol
• NSC 62145
• 2-methyl-4-phenylbutan-2-ol

• 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).
• 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.
• I : 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	20.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-194.82	kJ/mol	Joback Calculated Property
ΔfusH°	14.96	kJ/mol	Joback Calculated Property
ΔvapH°	57.74	kJ/mol	Joback Calculated Property
log10WS	-2.91		Crippen Calculated Property
logPoct/wat	2.390		Crippen Calculated Property
McVol	147.960	ml/mol	McGowan Calculated Property
Pc	2979.54	kPa	Joback Calculated Property
Inp	[1270.50; 1282.00]
Inp	1270.50		NIST
Inp	1282.00		NIST
Inp	1282.00		NIST
I	[1916.00; 1916.00]
I	1916.00		NIST
I	1916.00		NIST
Tboil	566.71	K	Joback Calculated Property
Tc	767.71	K	Joback Calculated Property
Tfus	303.39	K	Joback Calculated Property
Vc	0.551	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[361.84; 433.56]	J/mol×K	[566.71; 767.71]
Cp,gas	361.84	J/mol×K	566.71	Joback Calculated Property
Cp,gas	375.86	J/mol×K	600.21	Joback Calculated Property
Cp,gas	388.99	J/mol×K	633.71	Joback Calculated Property
Cp,gas	401.27	J/mol×K	667.21	Joback Calculated Property
Cp,gas	412.76	J/mol×K	700.71	Joback Calculated Property
Cp,gas	423.51	J/mol×K	734.21	Joback Calculated Property
Cp,gas	433.56	J/mol×K	767.71	Joback Calculated Property
η	[0.0000834; 0.0138910]	Pa×s	[303.39; 566.71]
η	0.0138910	Pa×s	303.39	Joback Calculated Property
η	0.0034560	Pa×s	347.28	Joback Calculated Property
η	0.0011748	Pa×s	391.16	Joback Calculated Property
η	0.0004965	Pa×s	435.05	Joback Calculated Property
η	0.0002457	Pa×s	478.94	Joback Calculated Property
η	0.0001368	Pa×s	522.82	Joback Calculated Property
η	0.0000834	Pa×s	566.71	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Benzenepropanol, «alpha»,«alpha»-dimethyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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