Chemical Properties of Benzeneethanamine, 3,4,5-trimethoxy- (CAS 54-04-6)

Benzeneethanamine, 3,4,5-trimethoxy-

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InChI
InChI=1S/C11H17NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4-5,12H2,1-3H3
InChI Key
RHCSKNNOAZULRK-UHFFFAOYSA-N
Formula
C11H17NO3
SMILES
COc1cc(CCN)cc(OC)c1OC
Molecular Weight1
211.26
CAS
54-04-6
Other Names
  • Phenethylamine, 3,4,5-trimethoxy-
  • Mescalin
  • Mezcalin
  • Mezcaline
  • TMPEA
  • 3,4,5-Trimethoxyphenethylamine
  • 3,4,5-Trimethoxyphenylethylamine
  • Ethane, 1-amino-2-(3,4,5-trimethoxyphenyl)-
  • Mescline
  • Mezcline
  • 3,4,5-Trimethoxybenzeneethanamine
  • Mescaline
  • 2-(3,4,5-Trimethoxyphenyl)ethylamine
  • NSC 30419
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Physical Properties

Property Value Unit Source
Δf -123.29 kJ/mol Joback Calculated Property
Δfgas -431.12 kJ/mol Joback Calculated Property
Δfus 25.88 kJ/mol Joback Calculated Property
Δvap 62.21 kJ/mol Joback Calculated Property
IE 8.18 ± 0.24 eV NIST
log10WS -2.07 Crippen Calculated Property
logPoct/wat 1.214 Crippen Calculated Property
McVol 169.680 ml/mol McGowan Calculated Property
Pc 2545.61 kPa Joback Calculated Property
Inp [1657.00; 1731.00]   Show Hide
Inp 1674.00 NIST
Inp 1688.00 NIST
Inp 1685.00 NIST
Inp 1700.00 NIST
Inp 1690.00 NIST
Inp Outlier 1731.00 NIST
Inp 1663.00 NIST
Inp 1663.00 NIST
Inp 1657.00 NIST
Inp 1695.00 NIST
Inp 1664.00 NIST
Inp 1688.00 NIST
Inp 1657.00 NIST
Inp 1663.00 NIST
Inp 1695.00 NIST
Inp 1695.00 NIST
Inp 1664.00 NIST
Inp 1690.00 NIST
Inp 1657.00 NIST
Inp 1688.00 NIST
Inp 1700.00 NIST
Tboil 632.49 K Joback Calculated Property
Tc 840.81 K Joback Calculated Property
Tfus 427.66 K Joback Calculated Property
Vc 0.626 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [437.68; 512.33] J/mol×K [632.49; 840.81] Show Hide
Cp,gas 437.68 J/mol×K 632.49 Joback Calculated Property
Cp,gas 451.89 J/mol×K 667.21 Joback Calculated Property
Cp,gas 465.41 J/mol×K 701.93 Joback Calculated Property
Cp,gas 478.24 J/mol×K 736.65 Joback Calculated Property
Cp,gas 490.35 J/mol×K 771.37 Joback Calculated Property
Cp,gas 501.72 J/mol×K 806.09 Joback Calculated Property
Cp,gas 512.33 J/mol×K 840.81 Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 453.20 K 1.60 NIST

Similar Compounds

Ethylamine, 3,4,5-trimethoxyphen-, hydrochloride. Benzeneethanamine, 3,4-dimethoxy-. Benzeneethanamine,3,4,5-trimethoxy-N-methyl-. 3,5-Dimethoxyphenethylamine. Phenol, 4-(2-aminoethyl)-2-methoxy-. 4-Ethoxy-3-methoxyphenethylamine. 3-Ethoxy-4-methoxyphenethylamine. 3-Methoxyphenethylamine. Benzenethanamine, 3,4,5-trimethoxy-«alpha»-methyl-(.+/-.)-. Phenethylamine, 3,4,5-trimethoxy-«alpha»-methyl-. 3,4-Dimethoxyphenethyl isothiocyanate. Acetamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-. 3,4-Dimethoxyphenylethylamine, N-trifluoroacetyl-. Homarylamine. Phenethylamine, 3-methoxy-«alpha»-methyl-4,5-(methylenedioxy)-.

Find more compounds similar to Benzeneethanamine, 3,4,5-trimethoxy-.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.