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

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.7600		Relay (1.0) Calculated Property
ΔfG°	-372.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-738.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.47	kJ/mol	Joback Calculated Property
ΔvapH°	96.43	kJ/mol	Relay (1.0) Calculated Property
IE	7.64	eV	Relay (1.0) Calculated Property
log10WS	-3.59		Relay (1.0) Calculated Property
logPoct/wat	2.331		Crippen Calculated Property
McVol	216.840	ml/mol	McGowan Calculated Property
Pc	2210.37	kPa	Joback Calculated Property
Inp	[2150.00; 2200.00]
Inp	2150.00		NIST
Inp	2200.00		NIST
Tboil	626.10	K	Relay (1.0) Calculated Property
Tc	842.75	K	Relay (1.0) Calculated Property
Tfus	356.44	K	Relay (1.0) Calculated Property
Vc	0.765	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[556.59; 611.11]	J/mol×K	[806.60; 1036.03]
Cp,gas	556.59	J/mol×K	806.60	Joback Calculated Property
Cp,gas	568.27	J/mol×K	844.84	Joback Calculated Property
Cp,gas	578.93	J/mol×K	883.08	Joback Calculated Property
Cp,gas	588.56	J/mol×K	921.32	Joback Calculated Property
Cp,gas	597.15	J/mol×K	959.56	Joback Calculated Property
Cp,gas	604.67	J/mol×K	997.79	Joback Calculated Property
Cp,gas	611.11	J/mol×K	1036.03	Joback Calculated Property
η	[0.0000826; 0.0004750]	Pa×s	[524.86; 806.60]
η	0.0004750	Pa×s	524.86	Joback Calculated Property
η	0.0003149	Pa×s	571.82	Joback Calculated Property
η	0.0002221	Pa×s	618.77	Joback Calculated Property
η	0.0001646	Pa×s	665.73	Joback Calculated Property
η	0.0001269	Pa×s	712.69	Joback Calculated Property
η	0.0001011	Pa×s	759.64	Joback Calculated Property
η	0.0000826	Pa×s	806.60	Joback 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)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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