Chemical Properties of 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl), bisTFA, I

2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl), bisTFA, I

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InChI
InChI=1S/C14H13F6NO4/c1-7-5-10(25-12(23)14(18,19)20)8(6-9(7)24-2)3-4-21-11(22)13(15,16)17/h5-6H,3-4H2,1-2H3,(H,21,22)
InChI Key
PSRIUCKTBFMYIM-UHFFFAOYSA-N
Formula
C14H13F6NO4
SMILES
COc1cc(CCNC(=O)C(F)(F)F)c(OC(=O)C(F)(F)F)cc1C
Molecular Weight1
373.25
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Physical Properties

Property Value Unit Source
Δf -1391.11 kJ/mol Joback Calculated Property
Δfgas -1760.46 kJ/mol Joback Calculated Property
Δfus 39.21 kJ/mol Joback Calculated Property
Δvap 68.27 kJ/mol Joback Calculated Property
log10WS -4.31 Crippen Calculated Property
logPoct/wat 2.692 Crippen Calculated Property
McVol 219.840 ml/mol McGowan Calculated Property
Pc 1731.78 kPa Joback Calculated Property
Inp [1780.00; 1780.00]   Show Hide
Inp 1780.00 NIST
Inp 1780.00 NIST
Tboil 753.25 K Joback Calculated Property
Tc 939.82 K Joback Calculated Property
Tfus 516.88 K Joback Calculated Property
Vc 0.880 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [642.68; 698.46] J/mol×K [753.25; 939.82] Show Hide
Cp,gas 642.68 J/mol×K 753.25 Joback Calculated Property
Cp,gas 653.85 J/mol×K 784.35 Joback Calculated Property
Cp,gas 664.23 J/mol×K 815.44 Joback Calculated Property
Cp,gas 673.85 J/mol×K 846.54 Joback Calculated Property
Cp,gas 682.74 J/mol×K 877.63 Joback Calculated Property
Cp,gas 690.93 J/mol×K 908.73 Joback Calculated Property
Cp,gas 698.46 J/mol×K 939.82 Joback Calculated Property

Similar Compounds

2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl), bisTFA, II. 2-(2-Trifluoroacetoxy-5-methoxy-4-ethylphenyl)ethylamine, N-trifluoroacetyl-. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl), isomer 2, 2TFA. 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, TFA. 2-(2,5-Dimethoxy-4-ethylphenyl)ethylamine, N-trifluoroacetyl-. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (HO-), 2TFA. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-), isomer 1, di-TFA. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-), isomer 2, di-TFA. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-oxo-N-acetyl-), TFA. 2-(2-Acetoxy-5-methoxy-4-ethylphenyl)ethylamine, N-acetyl-. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-N-acetyl)-isomer 2, acetylated. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (HO-N-acetyl-), 2TFA. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine, acetylated.

Find more compounds similar to 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl), bisTFA, I.

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