Chemical Properties of 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (desamino-COOH-), methyl

InChI

InChI=1S/C12H16O4/c1-8-5-11(15-3)9(6-10(8)14-2)7-12(13)16-4/h5-6H,7H2,1-4H3

InChI Key

QESMEYPKJZIHIH-UHFFFAOYSA-N

Formula

C12H16O4

SMILES

COC(=O)Cc1cc(OC)c(C)cc1OC

Molecular Weight¹

224.25

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[257.59; 555.88]	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			7.73810e+01
Coefficient B			7.05280e-01
Coefficient C			-1.42480e-04
Coefficient D			-8.43000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	257.59	J/mol×K	273.00	Calculated Property
Cp,gas	305.33	J/mol×K	353.78	Calculated Property
Cp,gas	350.04	J/mol×K	434.56	Calculated Property
Cp,gas	391.46	J/mol×K	515.33	Calculated Property
Cp,gas	429.32	J/mol×K	596.11	Calculated Property
Cp,gas	463.35	J/mol×K	676.89	Calculated Property
Cp,gas	493.29	J/mol×K	757.67	Calculated Property
Cp,gas	518.87	J/mol×K	838.44	Calculated Property
Cp,gas	539.82	J/mol×K	919.22	Calculated Property
Cp,gas	555.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007782; 0.0001284]	Pa×s	[375.77; 575.01]	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			-1.23582e+01
Coefficient B			1.95390e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			375.77
Temperature range, max.			575.01
η	0.0007782	Pa×s	375.77	Calculated Property
η	0.0005827	Pa×s	397.91	Calculated Property
η	0.0004499	Pa×s	420.05	Calculated Property
η	0.0003564	Pa×s	442.18	Calculated Property
η	0.0002887	Pa×s	464.32	Calculated Property
η	0.0002384	Pa×s	486.46	Calculated Property
η	0.0002001	Pa×s	508.60	Calculated Property
η	0.0001705	Pa×s	530.74	Calculated Property
η	0.0001471	Pa×s	552.88	Calculated Property
η	0.0001284	Pa×s	575.01	Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (desamino-COOH-), methyl.

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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