Chemical Properties of Phenethylamine, 2,5-dimethoxy-4-methylthio, N-acetyl

Phenethylamine, 2,5-dimethoxy-4-methylthio, N-acetyl

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InChI
InChI=1S/C13H19NO3S/c1-9(15)14-6-5-10-7-12(17-3)13(18-4)8-11(10)16-2/h7-8H,5-6H2,1-4H3,(H,14,15)
InChI Key
IXIKVQQQZVKSLD-UHFFFAOYSA-N
Formula
C13H19NO3S
SMILES
COc1cc(SC)c(OC)cc1CCNC(C)=O
Molecular Weight1
269.36
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Physical Properties

Property Value Unit Source
Δf -74.31 kJ/mol Joback Calculated Property
Δfgas -391.21 kJ/mol Joback Calculated Property
Δfus 35.50 kJ/mol Joback Calculated Property
Δvap 73.61 kJ/mol Joback Calculated Property
log10WS -3.06 Crippen Calculated Property
logPoct/wat 2.104 Crippen Calculated Property
McVol 209.910 ml/mol McGowan Calculated Property
Pc 2222.89 kPa Joback Calculated Property
Inp [2230.00; 2230.00]   Show Hide
Inp 2230.00 NIST
Inp 2230.00 NIST
Tboil 756.12 K Joback Calculated Property
Tc 974.23 K Joback Calculated Property
Tfus 481.70 K Joback Calculated Property
Vc 0.786 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [576.89; 646.16] J/mol×K [756.12; 974.23] Show Hide
Cp,gas 576.89 J/mol×K 756.12 Joback Calculated Property
Cp,gas 590.98 J/mol×K 792.47 Joback Calculated Property
Cp,gas 604.07 J/mol×K 828.82 Joback Calculated Property
Cp,gas 616.15 J/mol×K 865.17 Joback Calculated Property
Cp,gas 627.19 J/mol×K 901.52 Joback Calculated Property
Cp,gas 637.20 J/mol×K 937.88 Joback Calculated Property
Cp,gas 646.16 J/mol×K 974.23 Joback Calculated Property

Similar Compounds

Phenethylamine, 2,5-dimethoxy-4-methylthio, sulfoxide, N-acetyl. Phenethylamine, 2,5-dimethoxy-4-methylthio, sulfone, N-acetyl. Phenethylamine, 2,5-dimethoxy-4-propylthio, N-trifluoroacetyl. Phenethylamine, 2,5-dimethoxy-4-mercapto, N-acetyl. N-Trifluoroacetyl-2,5-dimethoxy-4-trifluoroacetoxypropylthio-«beta»-phenethylamine. 4-Methylthio-2-5-dimethoxyamphetamine. Benzeneethanamine,2,5-dimethoxy-«alpha»-methyl-4-(methylthio)-(.+/-.)-. Phenethylamine, 2,5-dimethoxy-4-propylthio, N-methylene. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine, acetylated. 2-(2,5-Dimethoxy-4-ethylphenyl)ethylamine, N-acetyl-. Phenethylamine, 2,5-dimethoxy-4-propylthio, N-acetyl, trifluoroacetoxy-M. Phenethylamine, 2,5-dimethoxy-4-propylthio, N-acetyl, acetoxy-M. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (HO-N-acetyl-), 2TFA. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (OH-N-acetyl-), isomer 2, propionylated. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-oxo-N-acetyl-), TFA.

Find more compounds similar to Phenethylamine, 2,5-dimethoxy-4-methylthio, N-acetyl.

Sources

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