Chemical Properties of 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (desamino-HOOC-O-desmethyl-)-H2O

InChI

InChI=1S/C9H7IO3/c1-12-8-2-5-3-9(11)13-7(5)4-6(8)10/h2,4H,3H2,1H3

InChI Key

VSQWZQYAPBUJCK-UHFFFAOYSA-N

Formula

C9H7IO3

SMILES

COc1cc2c(cc1I)OC(=O)C2

Molecular Weight¹

290.05

• 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°	-78.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-258.88	kJ/mol	Joback Calculated Property
ΔfusH°	22.09	kJ/mol	Joback Calculated Property
ΔvapH°	60.65	kJ/mol	Joback Calculated Property
log10WS	-2.91		Crippen Calculated Property
logPoct/wat	1.761		Crippen Calculated Property
McVol	142.180	ml/mol	McGowan Calculated Property
Pc	3690.97	kPa	Joback Calculated Property
Inp	[2080.00; 2080.00]
Inp	2080.00		NIST
Inp	2080.00		NIST
Tboil	668.68	K	Joback Calculated Property
Tc	938.53	K	Joback Calculated Property
Tfus	452.43	K	Joback Calculated Property
Vc	0.523	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[312.78; 366.87]	J/mol×K	[668.68; 938.53]
Cp,gas	312.78	J/mol×K	668.68	Joback Calculated Property
Cp,gas	323.78	J/mol×K	713.65	Joback Calculated Property
Cp,gas	333.96	J/mol×K	758.63	Joback Calculated Property
Cp,gas	343.34	J/mol×K	803.60	Joback Calculated Property
Cp,gas	351.94	J/mol×K	848.58	Joback Calculated Property
Cp,gas	359.77	J/mol×K	893.55	Joback Calculated Property
Cp,gas	366.87	J/mol×K	938.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (desamino-HOOC-O-desmethyl-)-H2O.

Sources

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

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