Chemical Properties of 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-N-acetyl)-isomer 2, acetylated

4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-N-acetyl)-isomer 2, acetylated

InChI
InChI=1S/C15H21NO4/c1-5-12-8-14(19-4)13(6-7-16-10(2)17)9-15(12)20-11(3)18/h8-9H,5-7H2,1-4H3,(H,16,17)
InChI Key
WKATUUYRHZTMMY-UHFFFAOYSA-N
Formula
C15H21NO4
SMILES
CCc1cc(OC)c(CCNC(C)=O)cc1OC(C)=O
Molecular Weight1
279.33
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 39.73 kJ/mol Joback Calculated Property
IE 7.80 eV Relay (1.0) Calculated Property
log10WS -2.65 Relay (1.0) Calculated Property
logPoct/wat 1.861 Crippen Calculated Property
McVol 223.310 ml/mol McGowan Calculated Property
Inp 2240.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [322.93; 718.06] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A5.53030e+01
Coefficient B1.10168e+00
Coefficient C-4.46580e-04
Coefficient D7.66000e-09
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 322.93 J/mol×K 273.00 Calculated Property
Cp,gas 389.50 J/mol×K 353.78 Calculated Property
Cp,gas 450.34 J/mol×K 434.56 Calculated Property
Cp,gas 505.49 J/mol×K 515.33 Calculated Property
Cp,gas 554.96 J/mol×K 596.11 Calculated Property
Cp,gas 598.78 J/mol×K 676.89 Calculated Property
Cp,gas 636.98 J/mol×K 757.67 Calculated Property
Cp,gas 669.57 J/mol×K 838.44 Calculated Property
Cp,gas 696.59 J/mol×K 919.22 Calculated Property
Cp,gas 718.06 J/mol×K 1000.00 Calculated Property

Similar Compounds

2-(2-Acetoxy-5-methoxy-4-ethylphenyl)ethylamine, N-acetyl-. 2-(2,5-Dimethoxy-4-ethylphenyl)ethylamine, N-acetyl-. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl-N-acetyl-), TFA, II. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine, acetylated. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl-N-acetyl-), TFA, I. 2-(4-Acetyl-5-acetoxy-2-methoxyphenyl)ethylamine, N-acetyl-. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (hydroxyl-N-acetyl)-isomer 2, acetylated. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (hydroxyl-N-acetyl)-isomer 1, acetylated. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl), isomer 2, 2TFA. 2-(2-Trifluoroacetoxy-5-methoxy-4-ethylphenyl)ethylamine, N-trifluoroacetyl-. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (OH-N-acetyl-), isomer 2, propionylated. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-), isomer 2, diacetylated. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (HO-N-acetyl-), isomer 1, propionylated. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl), bisTFA, II. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-), isomer 1, diacetylated.

Find more compounds similar to 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-N-acetyl)-isomer 2, acetylated.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.