Chemical Properties of Clobutinol (CAS 14860-49-2)

InChI

InChI=1S/C14H22ClNO/c1-11(10-16(3)4)14(2,17)9-12-5-7-13(15)8-6-12/h5-8,11,17H,9-10H2,1-4H3

InChI Key

KVHHQGIIZCJATJ-UHFFFAOYSA-N

Formula

C14H22ClNO

SMILES

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

Molecular Weight¹

255.78

CAS

14860-49-2

Other Names

• 1-(4-Chlorophenyl)-2,3-dimethyl-4-dimethylamino-2-butanol
• Benzeneethanol, 4-chloro-«alpha»-(2-(dimethylamino)-1-methyl)-«alpha»-methyl-
• Benzeneethanol, 4-chloro-«alpha»-[2-(dimethylamino)-1-methylethyl]-«alpha»-methyl-
• Phenethyl alcohol, p-chloro-«alpha»-[2-(dimethylamino)-1-methylethyl]-«alpha»-methyl-
• p-Chloro-«alpha»-(2-(dimethylamino)-1-methylethyl)-«alpha»-methyl-phenethyl alcohol
• p-Chloro-«alpha»-[2-(dimethylamino)-1-methylethyl]-«alpha»-methylphenyl alcohol
• p-Cloro-«alpha»-(2-(dimetilamino)-1-metiletil)-«alpha»-metil fenetil alcool

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	26.04	kJ/mol	Joback Calculated Property
logPoct/wat	2.831		Crippen Calculated Property
McVol	212.450	ml/mol	McGowan Calculated Property
Inp	[1758.00; 1784.00]
Inp	1758.00		NIST
Inp	1760.00		NIST
Inp	1784.00		NIST
Inp	1760.00		NIST
Inp	1758.00		NIST
Inp	1784.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, Ionization energy, 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	[287.41; 687.01]	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			-4.81080e+01
Coefficient B			1.49188e+00
Coefficient C			-1.04036e-03
Coefficient D			2.83600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	287.41	J/mol×K	273.00	Calculated Property
Cp,gas	362.03	J/mol×K	353.78	Calculated Property
Cp,gas	427.01	J/mol×K	434.56	Calculated Property
Cp,gas	483.23	J/mol×K	515.33	Calculated Property
Cp,gas	531.60	J/mol×K	596.11	Calculated Property
Cp,gas	573.01	J/mol×K	676.89	Calculated Property
Cp,gas	608.36	J/mol×K	757.67	Calculated Property
Cp,gas	638.55	J/mol×K	838.44	Calculated Property
Cp,gas	664.47	J/mol×K	919.22	Calculated Property
Cp,gas	687.01	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Clobutinol.

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.
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