Chemical Properties of Alpha-cyclopropyl-alpha,p-dimethylbenzyl alcohol (CAS 33446-27-4)

InChI

InChI=1S/C12H16O/c1-9-3-5-10(6-4-9)12(2,13)11-7-8-11/h3-6,11,13H,7-8H2,1-2H3

InChI Key

IJYCFWNBUFSFNP-UHFFFAOYSA-N

Formula

C12H16O

SMILES

Cc1ccc(C(C)(O)C2CC2)cc1

Molecular Weight¹

176.25

CAS

33446-27-4

Other Names

• «alpha»-cyclopropyl-«alpha»-4-dimethylbenzyl alcohol

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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, Log10 of Water solubility in mol/l 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	[395.34; 470.46]	J/mol×K	[601.51; 814.54]
Cp,gas	395.34	J/mol×K	601.51	Joback Calculated Property
Cp,gas	410.21	J/mol×K	637.02	Joback Calculated Property
Cp,gas	424.03	J/mol×K	672.52	Joback Calculated Property
Cp,gas	436.88	J/mol×K	708.03	Joback Calculated Property
Cp,gas	448.84	J/mol×K	743.53	Joback Calculated Property
Cp,gas	460.01	J/mol×K	779.04	Joback Calculated Property
Cp,gas	470.46	J/mol×K	814.54	Joback Calculated Property
η	[0.0001536; 0.0052985]	Pa×s	[345.12; 601.51]
η	0.0052985	Pa×s	345.12	Joback Calculated Property
η	0.0021217	Pa×s	387.85	Joback Calculated Property
η	0.0010189	Pa×s	430.58	Joback Calculated Property
η	0.0005585	Pa×s	473.31	Joback Calculated Property
η	0.0003383	Pa×s	516.05	Joback Calculated Property
η	0.0002212	Pa×s	558.78	Joback Calculated Property
η	0.0001536	Pa×s	601.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to Alpha-cyclopropyl-alpha,p-dimethylbenzyl alcohol.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.