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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[192.94; 516.73]	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			-9.70500e+01
Coefficient B			1.31614e+00
Coefficient C			-1.01556e-03
Coefficient D			3.13200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	192.94	J/mol×K	273.00	Calculated Property
Cp,gas	255.33	J/mol×K	353.78	Calculated Property
Cp,gas	308.81	J/mol×K	434.56	Calculated Property
Cp,gas	354.36	J/mol×K	515.33	Calculated Property
Cp,gas	392.98	J/mol×K	596.11	Calculated Property
Cp,gas	425.66	J/mol×K	676.89	Calculated Property
Cp,gas	453.38	J/mol×K	757.67	Calculated Property
Cp,gas	477.14	J/mol×K	838.44	Calculated Property
Cp,gas	497.92	J/mol×K	919.22	Calculated Property
Cp,gas	516.73	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0052985; 0.0001996]	Pa×s	[345.12; 570.18]	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			-1.35470e+01
Coefficient B			2.86681e+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.			345.12
Temperature range, max.			570.18
η	0.0052985	Pa×s	345.12	Calculated Property
η	0.0030228	Pa×s	370.13	Calculated Property
η	0.0018515	Pa×s	395.13	Calculated Property
η	0.0012022	Pa×s	420.14	Calculated Property
η	0.0008194	Pa×s	445.15	Calculated Property
η	0.0005818	Pa×s	470.15	Calculated Property
η	0.0004276	Pa×s	495.16	Calculated Property
η	0.0003237	Pa×s	520.17	Calculated Property
η	0.0002514	Pa×s	545.17	Calculated Property
η	0.0001996	Pa×s	570.18	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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.