Chemical Properties of Ethanol, 2-[4-(1,1-dimethylpropyl)phenoxy]- (CAS 6382-07-6)

InChI

InChI=1S/C13H20O2/c1-4-13(2,3)11-5-7-12(8-6-11)15-10-9-14/h5-8,14H,4,9-10H2,1-3H3

InChI Key

BXXDXUTVAFRBKC-UHFFFAOYSA-N

Formula

C13H20O2

SMILES

CCC(C)(C)c1ccc(OCCO)cc1

Molecular Weight¹

208.30

CAS

6382-07-6

Other Names

• 2-(p-tert-Amylphenoxy)ethanol
• 2-(p-tert-Pentylphenoxy)ethanol
• 2-[4-(1,1-dimethylpropyl)phenoxy]ethanol
• Ethanol, 2-(p-tert-pentylphenoxy)-
• Ethanol, 2-[p-(1,1-dimethylpropyl)phenoxy]-
• p-t-Amylphenoxyethanol

• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[253.00; 607.08]	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			-2.22170e+01
Coefficient B			1.19706e+00
Coefficient C			-7.38760e-04
Coefficient D			1.71000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	253.00	J/mol×K	273.00	Calculated Property
Cp,gas	316.39	J/mol×K	353.78	Calculated Property
Cp,gas	372.50	J/mol×K	434.56	Calculated Property
Cp,gas	421.88	J/mol×K	515.33	Calculated Property
Cp,gas	465.07	J/mol×K	596.11	Calculated Property
Cp,gas	502.61	J/mol×K	676.89	Calculated Property
Cp,gas	535.04	J/mol×K	757.67	Calculated Property
Cp,gas	562.90	J/mol×K	838.44	Calculated Property
Cp,gas	586.74	J/mol×K	919.22	Calculated Property
Cp,gas	607.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0031545; 0.0000690]	Pa×s	[360.68; 584.61]	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			-1.57370e+01
Coefficient B			3.59890e+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.			360.68
Temperature range, max.			584.61
η	0.0031545	Pa×s	360.68	Calculated Property
η	0.0016569	Pa×s	385.56	Calculated Property
η	0.0009409	Pa×s	410.44	Calculated Property
η	0.0005700	Pa×s	435.32	Calculated Property
η	0.0003646	Pa×s	460.20	Calculated Property
η	0.0002441	Pa×s	485.09	Calculated Property
η	0.0001700	Pa×s	509.97	Calculated Property
η	0.0001224	Pa×s	534.85	Calculated Property
η	0.0000908	Pa×s	559.73	Calculated Property
η	0.0000690	Pa×s	584.61	Calculated Property

Similar Compounds

Find more compounds similar to Ethanol, 2-[4-(1,1-dimethylpropyl)phenoxy]-.

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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