Chemical Properties of 3-(3,4-DIMETHOXYPHENYL)-1-PROPANOL

InChI

InChI=1S/C11H16O3/c1-13-10-6-5-9(4-3-7-12)8-11(10)14-2/h5-6,8,12H,3-4,7H2,1-2H3

InChI Key

ZISWRXJZUKDIOO-UHFFFAOYSA-N

Formula

C11H16O3

SMILES

COc1ccc(CCCO)cc1OC

Molecular Weight¹

196.25

Other Names

• Benzenepropanol, 3,4-dimethoxy-
• 1-Propanol, 3-(3,4-dimethoxyphenyl)
• 3-(3,4-dimethoxyphenyl)propanol

• 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).
• P_c : Critical Pressure (kPa).
• 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 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	[229.99; 517.89]	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			4.38730e+01
Coefficient B			7.58540e-01
Coefficient C			-2.80120e-04
Coefficient D			-4.40000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	229.99	J/mol×K	273.00	Calculated Property
Cp,gas	276.97	J/mol×K	353.78	Calculated Property
Cp,gas	320.24	J/mol×K	434.56	Calculated Property
Cp,gas	359.78	J/mol×K	515.33	Calculated Property
Cp,gas	395.57	J/mol×K	596.11	Calculated Property
Cp,gas	427.61	J/mol×K	676.89	Calculated Property
Cp,gas	455.87	J/mol×K	757.67	Calculated Property
Cp,gas	480.35	J/mol×K	838.44	Calculated Property
Cp,gas	501.03	J/mol×K	919.22	Calculated Property
Cp,gas	517.89	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016473; 0.0000770]	Pa×s	[370.47; 570.09]	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			-1.51566e+01
Coefficient B			3.24087e+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.			370.47
Temperature range, max.			570.09
η	0.0016473	Pa×s	370.47	Calculated Property
η	0.0010050	Pa×s	392.65	Calculated Property
η	0.0006464	Pa×s	414.83	Calculated Property
η	0.0004348	Pa×s	437.01	Calculated Property
η	0.0003039	Pa×s	459.19	Calculated Property
η	0.0002195	Pa×s	481.37	Calculated Property
η	0.0001632	Pa×s	503.55	Calculated Property
η	0.0001244	Pa×s	525.73	Calculated Property
η	0.0000969	Pa×s	547.91	Calculated Property
η	0.0000770	Pa×s	570.09	Calculated Property

Similar Compounds

Find more compounds similar to 3-(3,4-DIMETHOXYPHENYL)-1-PROPANOL.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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