Chemical Properties of 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (desamino-di-HO-O-desmethyl-), triacetylated

InChI

InChI=1S/C14H15IO6/c1-8(16)19-5-4-11-6-14(21-10(3)18)12(15)7-13(11)20-9(2)17/h6-7H,4-5H2,1-3H3

InChI Key

RAPLQXKJQRZHKM-UHFFFAOYSA-N

Formula

C14H15IO6

SMILES

CC(=O)OCCc1cc(OC(C)=O)c(I)cc1OC(C)=O

Molecular Weight¹

406.17

• 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).
• Δ_vapH° : Enthalpy of vaporization 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.
• 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, 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	[318.96; 647.45]	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			8.70720e+01
Coefficient B			9.51060e-01
Coefficient C			-3.65480e-04
Coefficient D			-2.52000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	318.96	J/mol×K	273.00	Calculated Property
Cp,gas	376.68	J/mol×K	353.78	Calculated Property
Cp,gas	429.28	J/mol×K	434.56	Calculated Property
Cp,gas	476.68	J/mol×K	515.33	Calculated Property
Cp,gas	518.80	J/mol×K	596.11	Calculated Property
Cp,gas	555.56	J/mol×K	676.89	Calculated Property
Cp,gas	586.89	J/mol×K	757.67	Calculated Property
Cp,gas	612.70	J/mol×K	838.44	Calculated Property
Cp,gas	632.91	J/mol×K	919.22	Calculated Property
Cp,gas	647.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005418; 0.0000729]	Pa×s	[496.57; 739.32]	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			-1.36282e+01
Coefficient B			3.03290e+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.			496.57
Temperature range, max.			739.32
η	0.0005418	Pa×s	496.57	Calculated Property
η	0.0003956	Pa×s	523.54	Calculated Property
η	0.0002978	Pa×s	550.52	Calculated Property
η	0.0002303	Pa×s	577.49	Calculated Property
η	0.0001821	Pa×s	604.46	Calculated Property
η	0.0001470	Pa×s	631.43	Calculated Property
η	0.0001207	Pa×s	658.41	Calculated Property
η	0.0001007	Pa×s	685.38	Calculated Property
η	0.0000852	Pa×s	712.35	Calculated Property
η	0.0000729	Pa×s	739.32	Calculated Property

Similar Compounds

Find more compounds similar to 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (desamino-di-HO-O-desmethyl-), triacetylated.

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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