Chemical Properties of 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (desamino-HO-), acetylated

2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (desamino-HO-), acetylated

InChI
InChI=1S/C13H18O4/c1-9-7-13(16-4)11(8-12(9)15-3)5-6-17-10(2)14/h7-8H,5-6H2,1-4H3
InChI Key
RCHOIQHRDYFARH-UHFFFAOYSA-N
Formula
C13H18O4
SMILES
COc1cc(CCOC(C)=O)c(OC)cc1C
Molecular Weight1
238.28
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Physical Properties

Property Value Unit Source
ΔfH°gas -664.14 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 29.04 kJ/mol Joback Calculated Property
ΔvapH° 91.05 kJ/mol Relay (1.0) Calculated Property
IE 7.83 eV Relay (1.0) Calculated Property
logPoct/wat 2.118 Crippen Calculated Property
McVol 189.450 ml/mol McGowan Calculated Property
Inp [1740.00; 1740.00]   Show Hide
Inp 1740.00 NIST
Inp 1740.00 NIST
Tboil 586.11 K Relay (1.0) Calculated Property
Tfus 325.10 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [489.82; 567.38] J/mol×K [641.72; 841.58] Show Hide
Cp,gas 489.82 J/mol×K 641.72 Joback Calculated Property
Cp,gas 504.70 J/mol×K 675.03 Joback Calculated Property
Cp,gas 518.83 J/mol×K 708.34 Joback Calculated Property
Cp,gas 532.17 J/mol×K 741.65 Joback Calculated Property
Cp,gas 544.72 J/mol×K 774.96 Joback Calculated Property
Cp,gas 556.46 J/mol×K 808.27 Joback Calculated Property
Cp,gas 567.38 J/mol×K 841.58 Joback Calculated Property
η [0.0000910; 0.0007429] Pa×s [387.04; 641.72] Show Hide
η 0.0007429 Pa×s 387.04 Joback Calculated Property
η 0.0004404 Pa×s 429.49 Joback Calculated Property
η 0.0002868 Pa×s 471.93 Joback Calculated Property
η 0.0002005 Pa×s 514.38 Joback Calculated Property
η 0.0001480 Pa×s 556.83 Joback Calculated Property
η 0.0001140 Pa×s 599.27 Joback Calculated Property
η 0.0000910 Pa×s 641.72 Joback Calculated Property

Similar Compounds

2-(2,5-Dimethoxy-4-ethylphenyl)ethanol, acetate. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl-desamino-HO-), acetylated, II. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl-desamino-HO-), acetylated, I. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (OH-), diacetylated. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (desamino-HO-), acetylated. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (desamino-di-HO-O-desmethyl-), triacetylated. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (HO-), bisTFA. 2-(4-Ethyl-2,5-dimethoxyphenyl)acetic acid, methyl ester. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-desamino-COOH), isomer 2, methyl-acetylated. 2-(4-Ethyl-2-acetoxy-5-methoxyphenyl)acetic acid, methyl ester. Benzeneethanol, 2,5-dimethoxy-4-propylthio, acetate. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl-desamino-COOH-), methyl-acetylated, I. 2-(4-Acetyl-2,5-dimethoxyphenyl)acetic acid, methyl ester. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine, acetylated. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl-desamino-COOH-), methyl-acetylated, II.

Find more compounds similar to 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (desamino-HO-), acetylated.

Sources

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