Chemical Properties of 4-sec-Butyl-2-(«alpha»-methylbenzyl)phenol (CAS 2622-83-5)

InChI

InChI=1S/C18H22O/c1-4-13(2)16-10-11-18(19)17(12-16)14(3)15-8-6-5-7-9-15/h5-14,19H,4H2,1-3H3

InChI Key

QJNBIFRUSFIANU-UHFFFAOYSA-N

Formula

C18H22O

SMILES

CCC(C)c1ccc(O)c(C(C)c2ccccc2)c1

Molecular Weight¹

254.37

CAS

2622-83-5

Other Names

• 4-(1-methylpropyl)-2-(1-phenylethyl)phenol
• 4-Sec-butyl-2-(a-methylbenzyl)phenol
• 4-sec-Butyl-2-(«alpha»-methylbenzyl)alcohol
• Phenol, 4-(1-methylpropyl)-2-(1-phenylethyl)-
• Phenol, 4-sec-butyl-2-(«alpha»-methylbenzyl)-

• ω : Acentric Factor.
• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical 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 Volume, Standard Gibbs free energy of formation, 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[291.63; 731.37]	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			-7.92690e+01
Coefficient B			1.66296e+00
Coefficient C			-1.21352e-03
Coefficient D			3.61200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	291.63	J/mol×K	273.00	Calculated Property
Cp,gas	373.16	J/mol×K	353.78	Calculated Property
Cp,gas	443.86	J/mol×K	434.56	Calculated Property
Cp,gas	504.87	J/mol×K	515.33	Calculated Property
Cp,gas	557.33	J/mol×K	596.11	Calculated Property
Cp,gas	602.38	J/mol×K	676.89	Calculated Property
Cp,gas	641.17	J/mol×K	757.67	Calculated Property
Cp,gas	674.84	J/mol×K	838.44	Calculated Property
Cp,gas	704.52	J/mol×K	919.22	Calculated Property
Cp,gas	731.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005848; 0.0000128]	Pa×s	[439.70; 691.82]	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			-1.79272e+01
Coefficient B			4.60932e+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.			439.70
Temperature range, max.			691.82
η	0.0005848	Pa×s	439.70	Calculated Property
η	0.0003121	Pa×s	467.71	Calculated Property
η	0.0001788	Pa×s	495.73	Calculated Property
η	0.0001088	Pa×s	523.74	Calculated Property
η	0.0000696	Pa×s	551.75	Calculated Property
η	0.0000465	Pa×s	579.76	Calculated Property
η	0.0000322	Pa×s	607.78	Calculated Property
η	0.0000231	Pa×s	635.79	Calculated Property
η	0.0000170	Pa×s	663.80	Calculated Property
η	0.0000128	Pa×s	691.82	Calculated Property

Similar Compounds

Find more compounds similar to 4-sec-Butyl-2-(«alpha»-methylbenzyl)phenol.

Sources

• Cheméo Relay (1.0)
• 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.