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

InChI

InChI=1S/C12H10F3IO5/c1-19-9-3-6(4-10(17)20-2)8(5-7(9)16)21-11(18)12(13,14)15/h3,5H,4H2,1-2H3

InChI Key

IGHFFEJPFCMPCJ-UHFFFAOYSA-N

Formula

C12H10F3IO5

SMILES

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

Molecular Weight¹

418.10

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-962.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-1230.92	kJ/mol	Joback Calculated Property
ΔfusH°	32.70	kJ/mol	Joback Calculated Property
ΔvapH°	72.92	kJ/mol	Joback Calculated Property
log10WS	-3.80		Crippen Calculated Property
logPoct/wat	2.483		Crippen Calculated Property
McVol	208.060	ml/mol	McGowan Calculated Property
Pc	2169.38	kPa	Joback Calculated Property
Inp	[1980.00; 1980.00]
Inp	1980.00		NIST
Inp	1980.00		NIST
Tboil	778.30	K	Joback Calculated Property
Tc	996.24	K	Joback Calculated Property
Tfus	517.78	K	Joback Calculated Property
Vc	0.796	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[528.81; 575.61]	J/mol×K	[778.30; 996.24]
Cp,gas	528.81	J/mol×K	778.30	Joback Calculated Property
Cp,gas	538.70	J/mol×K	814.62	Joback Calculated Property
Cp,gas	547.75	J/mol×K	850.95	Joback Calculated Property
Cp,gas	555.96	J/mol×K	887.27	Joback Calculated Property
Cp,gas	563.33	J/mol×K	923.59	Joback Calculated Property
Cp,gas	569.88	J/mol×K	959.92	Joback Calculated Property
Cp,gas	575.61	J/mol×K	996.24	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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