Chemical Properties of 4-ethyl-2,5-dimethoxy-.beta.-phenethylamine-M, (HO-N-acetyl-), 2TFA

4-ethyl-2,5-dimethoxy-.beta.-phenethylamine-M, (HO-N-acetyl-), 2TFA

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InChI
InChI=1S/C16H20F3NO5/c1-5-10-8-12(23-3)11(6-7-20-9(2)21)14(13(10)24-4)25-15(22)16(17,18)19/h8H,5-7H2,1-4H3,(H,20,21)
InChI Key
PPYDCOINDOERST-UHFFFAOYSA-N
Formula
C16H20F3NO5
SMILES
CCc1cc(OC)c(CCNC(C)=O)c(OC(=O)C(F)(F)F)c1OC
Molecular Weight1
363.33
Sources

Physical Properties

Property Value Unit Source
Δf -907.31 kJ/mol Joback Calculated Property
Δfgas -1348.35 kJ/mol Joback Calculated Property
Δfus 43.37 kJ/mol Joback Calculated Property
Δvap 79.55 kJ/mol Joback Calculated Property
logPoct/wat 2.41 Crippen Calculated Property
Pc 1586.01 kPa Joback Calculated Property
Tboil 831.83 K Joback Calculated Property
Tc 1029.48 K Joback Calculated Property
Tfus 569.98 K Joback Calculated Property
Vc 0.97 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 753.10 J/mol×K 831.83 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 3
-CH3 4
=CH- (ring) 1
=C< (ring) 5
-CH2- 3
-F 3
>C< 1
>NH 1
>C=O (nonring) 2

Similar Compounds

4-ethyl-2,5-dimethoxy-.beta.-phenethylamine-M, (HO-), 2TFA. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (hydroxyl-N-acetyl)-isomer 1, acetylated. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (hydroxyl-N-acetyl)-isomer 2, acetylated. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (HO-N-acetyl-), isomer 1, propionylated. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (OH-N-acetyl-), isomer 2, propionylated. 2,5-Dimethoxy-4-methyl-.beta.-phenethylamine-M (HO-), bisTFA. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl-N-acetyl-), TFA, I. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl-N-acetyl-), TFA, II. 2,5-Dimethoxy-4-methyl-.beta.-phenethylamine-M (OH-), diacetylated. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (HO-desamino-COOH), isomer 2, methyl-acetylated. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (HO-desamino-COOH), isomer 1, methyl-acetylated. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-oxo-N-acetyl-), TFA. Phenethylamine, 2,5-dimethoxy-4-propylthio, N-acetyl, acetoxy-M. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-), isomer 1, di-TFA. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-N-acetyl)-isomer 2, acetylated.

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