Chemical Properties of Benzenemethanol, .alpha.-ethyl-4-methoxy-

InChI

InChI=1S/C10H14O2/c1-3-10(11)8-4-6-9(12-2)7-5-8/h4-7,10-11H,3H2,1-2H3

InChI Key

RELLLNVFFUWXHI-UHFFFAOYSA-N

Formula

C10H14O2

SMILES

CCC(O)c1ccc(OC)cc1

Molecular Weight¹

166.22

Other Names

• Benzyl alcohol, «alpha»-ethyl-p-methoxy-
• 1-(4-Methoxyphenyl)-1-propanol
• Benzenemethanol, 1-ethyl-4-methoxy
• «alpha»-ethyl-p-methoxybenzyl 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	17.06	kJ/mol	Joback Calculated Property
IE	8.17	eV	Relay (1.0) Calculated Property
log10WS	-1.51		Relay (1.0) Calculated Property
logPoct/wat	2.139		Crippen Calculated Property
McVol	139.740	ml/mol	McGowan Calculated Property
Inp	[1405.90; 1405.90]
Inp	1405.90		NIST
Inp	1405.90		NIST
Tboil	524.07	K	Relay (1.0) Calculated Property
Tc	736.50	K	Relay (1.0) Calculated Property
Tfus	335.37	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[190.50; 451.38]	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			3.30100e+00
Coefficient B			7.92140e-01
Coefficient C			-4.06960e-04
Coefficient D			6.29000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	190.50	J/mol×K	273.00	Calculated Property
Cp,gas	235.39	J/mol×K	353.78	Calculated Property
Cp,gas	275.84	J/mol×K	434.56	Calculated Property
Cp,gas	312.05	J/mol×K	515.33	Calculated Property
Cp,gas	344.22	J/mol×K	596.11	Calculated Property
Cp,gas	372.54	J/mol×K	676.89	Calculated Property
Cp,gas	397.22	J/mol×K	757.67	Calculated Property
Cp,gas	418.45	J/mol×K	838.44	Calculated Property
Cp,gas	436.44	J/mol×K	919.22	Calculated Property
Cp,gas	451.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0074195; 0.0001021]	Pa×s	[309.45; 539.05]	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			-1.49657e+01
Coefficient B			3.11370e+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.			309.45
Temperature range, max.			539.05
η	0.0074195	Pa×s	309.45	Calculated Property
η	0.0034480	Pa×s	334.96	Calculated Property
η	0.0017859	Pa×s	360.47	Calculated Property
η	0.0010091	Pa×s	385.98	Calculated Property
η	0.0006120	Pa×s	411.49	Calculated Property
η	0.0003934	Pa×s	437.00	Calculated Property
η	0.0002656	Pa×s	462.51	Calculated Property
η	0.0001868	Pa×s	488.02	Calculated Property
η	0.0001361	Pa×s	513.53	Calculated Property
η	0.0001021	Pa×s	539.05	Calculated Property

Similar Compounds

Find more compounds similar to Benzenemethanol, .alpha.-ethyl-4-methoxy-.

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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