Chemical Properties of 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (desamino-HOOC-), methyl

InChI

InChI=1S/C11H13IO4/c1-14-9-6-8(12)10(15-2)4-7(9)5-11(13)16-3/h4,6H,5H2,1-3H3

InChI Key

WHHDCUHNLUQVAM-UHFFFAOYSA-N

Formula

C11H13IO4

SMILES

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

Molecular Weight¹

336.12

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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, Ionization energy, 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	[253.45; 513.46]	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			8.99810e+01
Coefficient B			6.49260e-01
Coefficient C			-1.69480e-04
Coefficient D			-5.63000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	253.45	J/mol×K	273.00	Calculated Property
Cp,gas	295.97	J/mol×K	353.78	Calculated Property
Cp,gas	335.50	J/mol×K	434.56	Calculated Property
Cp,gas	371.85	J/mol×K	515.33	Calculated Property
Cp,gas	404.86	J/mol×K	596.11	Calculated Property
Cp,gas	434.35	J/mol×K	676.89	Calculated Property
Cp,gas	460.12	J/mol×K	757.67	Calculated Property
Cp,gas	482.02	J/mol×K	838.44	Calculated Property
Cp,gas	499.86	J/mol×K	919.22	Calculated Property
Cp,gas	513.46	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007345; 0.0001214]	Pa×s	[422.56; 643.48]	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			-1.24585e+01
Coefficient B			2.21516e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			422.56
Temperature range, max.			643.48
η	0.0007345	Pa×s	422.56	Calculated Property
η	0.0005508	Pa×s	447.11	Calculated Property
η	0.0004256	Pa×s	471.65	Calculated Property
η	0.0003374	Pa×s	496.20	Calculated Property
η	0.0002734	Pa×s	520.75	Calculated Property
η	0.0002257	Pa×s	545.30	Calculated Property
η	0.0001895	Pa×s	569.84	Calculated Property
η	0.0001614	Pa×s	594.39	Calculated Property
η	0.0001392	Pa×s	618.94	Calculated Property
η	0.0001214	Pa×s	643.48	Calculated Property

Similar Compounds

Find more compounds similar to 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (desamino-HOOC-), 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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