Chemical Properties of Benzeneethanol, «alpha»,«alpha»-dimethyl-, acetate (CAS 151-05-3)

InChI

InChI=1S/C12H16O2/c1-10(13)14-12(2,3)9-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3

InChI Key

FLUWAIIVLCVEKF-UHFFFAOYSA-N

Formula

C12H16O2

SMILES

CC(=O)OC(C)(C)Cc1ccccc1

Molecular Weight¹

192.25

CAS

151-05-3

Other Names

• 2-Methyl-1-phenyl-2-propyl acetate
• Acetic acid «alpha»,«alpha»-dimethyl-«beta»-phenylethyl ester
• Benzeneethanol, «alpha»,«alpha»-dimethyl-, 1-acetate
• Benzyldimethylcarbinol acetate
• Benzyldimethylcarbinyl acetate
• DMBCA
• Dimethylbenzylcarbinol acetate
• Dimethylbenzylcarbinyl acetate
• NSC 46123
• Phenethyl alcohol, «alpha»,«alpha»-dimethyl-, acetate
• «alpha»,«alpha»-Dimethylphenethyl acetate
• «alpha»,«alpha»-Dimethylphenethyl alcohol, acetate

• 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_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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[392.11; 475.59]	J/mol×K	[555.83; 772.03]
Cp,gas	392.11	J/mol×K	555.83	Joback Calculated Property
Cp,gas	408.67	J/mol×K	591.86	Joback Calculated Property
Cp,gas	424.11	J/mol×K	627.90	Joback Calculated Property
Cp,gas	438.47	J/mol×K	663.93	Joback Calculated Property
Cp,gas	451.81	J/mol×K	699.96	Joback Calculated Property
Cp,gas	464.16	J/mol×K	736.00	Joback Calculated Property
Cp,gas	475.59	J/mol×K	772.03	Joback Calculated Property
η	[0.0001552; 0.0042877]	Pa×s	[296.17; 555.83]
η	0.0042877	Pa×s	296.17	Joback Calculated Property
η	0.0017333	Pa×s	339.45	Joback Calculated Property
η	0.0008600	Pa×s	382.72	Joback Calculated Property
η	0.0004920	Pa×s	426.00	Joback Calculated Property
η	0.0003120	Pa×s	469.28	Joback Calculated Property
η	0.0002137	Pa×s	512.55	Joback Calculated Property
η	0.0001552	Pa×s	555.83	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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