Chemical Properties of Phenol, 4-(butoxymethyl)-2-methoxy- (CAS 82654-98-6)

InChI

InChI=1S/C12H18O3/c1-3-4-7-15-9-10-5-6-11(13)12(8-10)14-2/h5-6,8,13H,3-4,7,9H2,1-2H3

InChI Key

VLDFMKOUUQYFGF-UHFFFAOYSA-N

Formula

C12H18O3

SMILES

CCCCOCc1ccc(O)c(OC)c1

Molecular Weight¹

210.27

CAS

82654-98-6

Other Names

• 4-(butoxymethyl)-2-methoxyphenol
• Vanillyl Butyl Ether

• 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).
• 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_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, 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	[253.04; 576.27]	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			1.44540e+01
Coefficient B			1.03364e+00
Coefficient C			-6.27520e-04
Coefficient D			1.55700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	253.04	J/mol×K	273.00	Calculated Property
Cp,gas	308.49	J/mol×K	353.78	Calculated Property
Cp,gas	357.90	J/mol×K	434.56	Calculated Property
Cp,gas	401.78	J/mol×K	515.33	Calculated Property
Cp,gas	440.61	J/mol×K	596.11	Calculated Property
Cp,gas	474.89	J/mol×K	676.89	Calculated Property
Cp,gas	505.10	J/mol×K	757.67	Calculated Property
Cp,gas	531.74	J/mol×K	838.44	Calculated Property
Cp,gas	555.30	J/mol×K	919.22	Calculated Property
Cp,gas	576.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005028; 0.0000296]	Pa×s	[420.12; 587.24]	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			-1.75436e+01
Coefficient B			4.17948e+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.			420.12
Temperature range, max.			587.24
η	0.0005028	Pa×s	420.12	Calculated Property
η	0.0003300	Pa×s	438.69	Calculated Property
η	0.0002241	Pa×s	457.26	Calculated Property
η	0.0001569	Pa×s	475.83	Calculated Property
η	0.0001128	Pa×s	494.40	Calculated Property
η	0.0000831	Pa×s	512.97	Calculated Property
η	0.0000625	Pa×s	531.53	Calculated Property
η	0.0000479	Pa×s	550.10	Calculated Property
η	0.0000374	Pa×s	568.67	Calculated Property
η	0.0000296	Pa×s	587.24	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 4-(butoxymethyl)-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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