Chemical Properties of p-Chloro-«alpha»,«alpha»-dimethylphenethyl alcohol (CAS 5468-97-3)

InChI

InChI=1S/C10H13ClO/c1-10(2,12)7-8-3-5-9(11)6-4-8/h3-6,12H,7H2,1-2H3

InChI Key

WAAJRPRSQXYYAA-UHFFFAOYSA-N

Formula

C10H13ClO

SMILES

CC(C)(O)Cc1ccc(Cl)cc1

Molecular Weight¹

184.66

CAS

5468-97-3

Other Names

• Benzeneethanol, 4-chloro-«alpha»,«alpha»-dimethyl-
• Benzenethanol, 4-chloro-«alpha»,«alpha»-dimethyl-
• 4-chloro-«alpha»,«alpha»-dimethylphenethylic alcohol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[187.36; 442.08]	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			-3.20990e+01
Coefficient B			9.82040e-01
Coefficient C			-7.06960e-04
Coefficient D			1.99100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	187.36	J/mol×K	273.00	Calculated Property
Cp,gas	235.66	J/mol×K	353.78	Calculated Property
Cp,gas	277.49	J/mol×K	434.56	Calculated Property
Cp,gas	313.48	J/mol×K	515.33	Calculated Property
Cp,gas	344.26	J/mol×K	596.11	Calculated Property
Cp,gas	370.47	J/mol×K	676.89	Calculated Property
Cp,gas	392.72	J/mol×K	757.67	Calculated Property
Cp,gas	411.65	J/mol×K	838.44	Calculated Property
Cp,gas	427.90	J/mol×K	919.22	Calculated Property
Cp,gas	442.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0060450; 0.0001087]	Pa×s	[334.56; 557.08]	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			-1.51685e+01
Coefficient B			3.36565e+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.			334.56
Temperature range, max.			557.08
η	0.0060450	Pa×s	334.56	Calculated Property
η	0.0030251	Pa×s	359.28	Calculated Property
η	0.0016550	Pa×s	384.01	Calculated Property
η	0.0009740	Pa×s	408.73	Calculated Property
η	0.0006089	Pa×s	433.46	Calculated Property
η	0.0004005	Pa×s	458.18	Calculated Property
η	0.0002749	Pa×s	482.91	Calculated Property
η	0.0001958	Pa×s	507.63	Calculated Property
η	0.0001439	Pa×s	532.36	Calculated Property
η	0.0001087	Pa×s	557.08	Calculated Property

Similar Compounds

Find more compounds similar to p-Chloro-«alpha»,«alpha»-dimethylphenethyl 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

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