Chemical Properties of 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-N-acetyl-), isomer-2

InChI

InChI=1S/C11H14INO3/c1-7(14)13-4-3-8-5-10(15)9(12)6-11(8)16-2/h5-6,15H,3-4H2,1-2H3,(H,13,14)

InChI Key

DGSCQLFXCHSXPE-UHFFFAOYSA-N

Formula

C11H14INO3

SMILES

COc1cc(I)c(O)cc1CCNC(C)=O

Molecular Weight¹

335.14

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.7553		Relay (1.0) Calculated Property
ΔfG°	-106.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-393.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.58	kJ/mol	Joback Calculated Property
ΔvapH°	106.12	kJ/mol	Relay (1.0) Calculated Property
IE	7.84	eV	Relay (1.0) Calculated Property
log10WS	-2.57		Relay (1.0) Calculated Property
logPoct/wat	1.684		Crippen Calculated Property
McVol	191.200	ml/mol	McGowan Calculated Property
Pc	3131.49	kPa	Joback Calculated Property
Inp	[2520.00; 2520.00]
Inp	2520.00		NIST
Inp	2520.00		NIST
Tboil	616.96	K	Relay (1.0) Calculated Property
Tc	900.25	K	Relay (1.0) Calculated Property
Tfus	416.76	K	Relay (1.0) Calculated Property
Vc	0.639	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[486.21; 544.71]	J/mol×K	[787.94; 1030.10]
Cp,gas	486.21	J/mol×K	787.94	Joback Calculated Property
Cp,gas	497.26	J/mol×K	828.30	Joback Calculated Property
Cp,gas	507.67	J/mol×K	868.66	Joback Calculated Property
Cp,gas	517.54	J/mol×K	909.02	Joback Calculated Property
Cp,gas	526.95	J/mol×K	949.38	Joback Calculated Property
Cp,gas	535.98	J/mol×K	989.74	Joback Calculated Property
Cp,gas	544.71	J/mol×K	1030.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-N-acetyl-), isomer-2.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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