Chemical Properties of 2C-I (CAS 64584-32-3)

InChI

InChI=1S/C10H14INO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3

InChI Key

PQHQBRJAAZQXHL-UHFFFAOYSA-N

Formula

C10H14INO2

SMILES

COc1cc(CCN)c(OC)cc1I

Molecular Weight¹

307.13

CAS

64584-32-3

Other Names

• 4-iodo-2,5-dimethoxy-«beta»-phenethylamine

• 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°	31.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-201.39	kJ/mol	Joback Calculated Property
ΔfusH°	26.51	kJ/mol	Joback Calculated Property
ΔvapH°	66.95	kJ/mol	Joback Calculated Property
log10WS	-3.10		Crippen Calculated Property
logPoct/wat	1.810		Crippen Calculated Property
McVol	175.540	ml/mol	McGowan Calculated Property
Pc	2796.51	kPa	Joback Calculated Property
Inp	[2330.00; 2330.00]
Inp	2330.00		NIST
Inp	2330.00		NIST
Tboil	680.33	K	Joback Calculated Property
Tc	920.10	K	Joback Calculated Property
Tfus	452.22	K	Joback Calculated Property
Vc	0.640	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[411.26; 474.97]	J/mol×K	[680.33; 920.10]
Cp,gas	411.26	J/mol×K	680.33	Joback Calculated Property
Cp,gas	423.90	J/mol×K	720.29	Joback Calculated Property
Cp,gas	435.74	J/mol×K	760.25	Joback Calculated Property
Cp,gas	446.76	J/mol×K	800.21	Joback Calculated Property
Cp,gas	456.97	J/mol×K	840.17	Joback Calculated Property
Cp,gas	466.38	J/mol×K	880.14	Joback Calculated Property
Cp,gas	474.97	J/mol×K	920.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2C-I.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.