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

InChI

InChI=1S/C13H15IO5/c1-8(15)18-5-4-10-6-13(17-3)11(14)7-12(10)19-9(2)16/h6-7H,4-5H2,1-3H3

InChI Key

HGOWGSGYCOFNAX-UHFFFAOYSA-N

Formula

C13H15IO5

SMILES

COc1cc(CCOC(C)=O)c(OC(C)=O)cc1I

Molecular Weight¹

378.16

• 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

Property	Value	Unit	Source
ΔfusH°	36.63	kJ/mol	Joback Calculated Property
logPoct/wat	2.331		Crippen Calculated Property
McVol	216.840	ml/mol	McGowan Calculated Property
Inp	[2150.00; 2200.00]
Inp	2150.00		NIST
Inp	2200.00		NIST

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	[296.81; 606.25]	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			8.80720e+01
Coefficient B			8.47660e-01
Coefficient C			-2.94680e-04
Coefficient D			-3.48000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	296.81	J/mol×K	273.00	Calculated Property
Cp,gas	349.53	J/mol×K	353.78	Calculated Property
Cp,gas	397.92	J/mol×K	434.56	Calculated Property
Cp,gas	441.88	J/mol×K	515.33	Calculated Property
Cp,gas	481.29	J/mol×K	596.11	Calculated Property
Cp,gas	516.03	J/mol×K	676.89	Calculated Property
Cp,gas	546.02	J/mol×K	757.67	Calculated Property
Cp,gas	571.12	J/mol×K	838.44	Calculated Property
Cp,gas	591.23	J/mol×K	919.22	Calculated Property
Cp,gas	606.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006250; 0.0000922]	Pa×s	[465.20; 697.77]	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			-1.31197e+01
Coefficient B			2.67111e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			465.20
Temperature range, max.			697.77
η	0.0006250	Pa×s	465.20	Calculated Property
η	0.0004620	Pa×s	491.04	Calculated Property
η	0.0003520	Pa×s	516.88	Calculated Property
η	0.0002752	Pa×s	542.72	Calculated Property
η	0.0002200	Pa×s	568.56	Calculated Property
η	0.0001794	Pa×s	594.40	Calculated Property
η	0.0001488	Pa×s	620.25	Calculated Property
η	0.0001252	Pa×s	646.09	Calculated Property
η	0.0001068	Pa×s	671.93	Calculated Property
η	0.0000922	Pa×s	697.77	Calculated Property

Similar Compounds

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

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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