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

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

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InChI
InChI=1S/C13H19NO4S/c1-9(15)14-6-5-10-7-12(18-3)13(19(4)16)8-11(10)17-2/h7-8H,5-6H2,1-4H3,(H,14,15)
InChI Key
MMLNTVMTTLMSNV-UHFFFAOYSA-N
Formula
C13H19NO4S
SMILES
COc1cc(S(C)=O)c(OC)cc1CCNC(C)=O
Molecular Weight1
285.36
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Physical Properties

Property Value Unit Source
Δf -325.14 kJ/mol Joback Calculated Property
Δfgas -638.82 kJ/mol Joback Calculated Property
Δfus 39.13 kJ/mol Joback Calculated Property
Δvap 79.52 kJ/mol Joback Calculated Property
log10WS -1.81 Crippen Calculated Property
logPoct/wat 1.120 Crippen Calculated Property
McVol 215.780 ml/mol McGowan Calculated Property
Pc 2374.90 kPa Joback Calculated Property
Inp [2460.00; 2460.00]   Show Hide
Inp 2460.00 NIST
Inp 2460.00 NIST
Tboil 745.62 K Joback Calculated Property
Tc 953.86 K Joback Calculated Property
Tfus 483.78 K Joback Calculated Property
Vc 0.823 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [593.75; 662.89] J/mol×K [745.62; 953.86] Show Hide
Cp,gas 593.75 J/mol×K 745.62 Joback Calculated Property
Cp,gas 607.77 J/mol×K 780.33 Joback Calculated Property
Cp,gas 620.82 J/mol×K 815.03 Joback Calculated Property
Cp,gas 632.87 J/mol×K 849.74 Joback Calculated Property
Cp,gas 643.91 J/mol×K 884.45 Joback Calculated Property
Cp,gas 653.92 J/mol×K 919.15 Joback Calculated Property
Cp,gas 662.89 J/mol×K 953.86 Joback Calculated Property

Similar Compounds

Phenethylamine, 2,5-dimethoxy-4-methylthio, sulfone, N-acetyl. Phenethylamine, 2,5-dimethoxy-4-methylthio, N-acetyl. Phenethylamine, 2,5-dimethoxy-4-propylthio, N-trifluoroacetyl. N-Trifluoroacetyl-2,5-dimethoxy-4-trifluoroacetoxypropylthio-«beta»-phenethylamine. Phenethylamine, 2,5-dimethoxy-4-mercapto, N-acetyl. Phenethylamine, 2,5-dimethoxy-4-propylthio, N-acetyl, trifluoroacetoxy-M. Norhydrocodone. Phenethylamine, 2,5-dimethoxy-4-propylthio, N-acetyl, acetoxy-M. Moexipril desethyl 3Me (Moexprilate 3Me). Oxymorphone. Methyldihydromorphine. Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, (5«alpha»,6«alpha»)-. Moexipril Me. Acetyldihydrocodeine. Dihydromorphine.

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

Sources

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