Chemical Properties of Benzeneethanol, 2-methoxy- (CAS 7417-18-7)

InChI

InChI=1S/C9H12O2/c1-11-9-5-3-2-4-8(9)6-7-10/h2-5,10H,6-7H2,1H3

InChI Key

XLDRDNQLEMMNNH-UHFFFAOYSA-N

Formula

C9H12O2

SMILES

COc1ccccc1CCO

Molecular Weight¹

152.19

CAS

7417-18-7

Other Names

• 2-Methoxyphenethyl alcohol
• Phenethyl alcohol, o-methoxy-

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I : Polar retention indices.
• 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 Pressure, Critical Volume, 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[169.61; 399.25]	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			5.89200e+00
Coefficient B			6.91220e-01
Coefficient C			-3.49360e-04
Coefficient D			5.15000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	169.61	J/mol×K	273.00	Calculated Property
Cp,gas	208.99	J/mol×K	353.78	Calculated Property
Cp,gas	244.52	J/mol×K	434.56	Calculated Property
Cp,gas	276.37	J/mol×K	515.33	Calculated Property
Cp,gas	304.70	J/mol×K	596.11	Calculated Property
Cp,gas	329.67	J/mol×K	676.89	Calculated Property
Cp,gas	351.45	J/mol×K	757.67	Calculated Property
Cp,gas	370.20	J/mol×K	838.44	Calculated Property
Cp,gas	386.08	J/mol×K	919.22	Calculated Property
Cp,gas	399.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0055162; 0.0001218]	Pa×s	[313.18; 522.41]	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			-1.47209e+01
Coefficient B			2.98172e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			313.18
Temperature range, max.			522.41
η	0.0055162	Pa×s	313.18	Calculated Property
η	0.0028571	Pa×s	336.43	Calculated Property
η	0.0016111	Pa×s	359.68	Calculated Property
η	0.0009740	Pa×s	382.92	Calculated Property
η	0.0006237	Pa×s	406.17	Calculated Property
η	0.0004192	Pa×s	429.42	Calculated Property
η	0.0002934	Pa×s	452.67	Calculated Property
η	0.0002127	Pa×s	475.91	Calculated Property
η	0.0001589	Pa×s	499.16	Calculated Property
η	0.0001218	Pa×s	522.41	Calculated Property

Similar Compounds

Find more compounds similar to Benzeneethanol, 2-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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