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

4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (desamino-di-HO-O-desmethyl-), triacetylated

InChI
InChI=1S/C14H15IO6/c1-8(16)19-5-4-11-6-14(21-10(3)18)12(15)7-13(11)20-9(2)17/h6-7H,4-5H2,1-3H3
InChI Key
RAPLQXKJQRZHKM-UHFFFAOYSA-N
Formula
C14H15IO6
SMILES
CC(=O)OCCc1cc(OC(C)=O)c(I)cc1OC(C)=O
Molecular Weight1
406.17
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Physical Properties

Property Value Unit Source
ΔfusH° 42.40 kJ/mol Joback Calculated Property
ΔvapH° 102.81 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 2.247 Crippen Calculated Property
McVol 232.500 ml/mol McGowan Calculated Property
Inp 2310.00 NIST
Tboil 630.48 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [610.07; 654.17] J/mol×K [829.34; 1056.18] Show Hide
Cp,gas 610.07 J/mol×K 829.34 Joback Calculated Property
Cp,gas 620.53 J/mol×K 867.15 Joback Calculated Property
Cp,gas 629.75 J/mol×K 904.95 Joback Calculated Property
Cp,gas 637.74 J/mol×K 942.76 Joback Calculated Property
Cp,gas 644.48 J/mol×K 980.56 Joback Calculated Property
Cp,gas 649.96 J/mol×K 1018.37 Joback Calculated Property
Cp,gas 654.17 J/mol×K 1056.18 Joback Calculated Property
η [0.0000467; 0.0005418] Pa×s [496.57; 829.34] Show Hide
η 0.0005418 Pa×s 496.57 Joback Calculated Property
η 0.0002933 Pa×s 552.03 Joback Calculated Property
η 0.0001776 Pa×s 607.49 Joback Calculated Property
η 0.0001170 Pa×s 662.95 Joback Calculated Property
η 0.0000822 Pa×s 718.42 Joback Calculated Property
η 0.0000607 Pa×s 773.88 Joback Calculated Property
η 0.0000467 Pa×s 829.34 Joback Calculated Property

Similar Compounds

4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (desamino-HO-), acetylated. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl-desamino-HO-), acetylated, I. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl-desamino-HO-), acetylated, II. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (OH-), diacetylated. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-), isomer 2, diacetylated. 2-(2,5-Dimethoxy-4-ethylphenyl)ethanol, acetate. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (desamino-HO-), acetylated. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-), isomer 1, diacetylated. 1,2-Diacetoxy-3-[4-acetoxy-2-(2-acetoxy)propyl]phenoxypropane. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (HO-), bisTFA. 2-(4-Ethyl-2-acetoxy-5-methoxyphenyl)acetic acid, methyl ester. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-desamino-COOH), isomer 2, methyl-acetylated. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-), isomer 2, di-TFA. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-), isomer 1, di-TFA. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (HO-desamino-COOH), isomer 1, methyl-acetylated.

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

Sources

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