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

4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-desamino-COOH), isomer 2, methyl-acetylated

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InChI
InChI=1S/C14H18O5/c1-5-10-6-12(17-3)11(8-14(16)18-4)7-13(10)19-9(2)15/h6-7H,5,8H2,1-4H3
InChI Key
FMODDNYHBSKUKR-UHFFFAOYSA-N
Formula
C14H18O5
SMILES
CCc1cc(OC)c(CC(=O)OC)cc1OC(C)=O
Molecular Weight1
266.29
Sources

Physical Properties

Property Value Unit Source
Δf -422.32 kJ/mol Joback Calculated Property
Δfgas -751.99 kJ/mol Joback Calculated Property
Δfus 31.65 kJ/mol Joback Calculated Property
Δvap 71.74 kJ/mol Joback Calculated Property
logPoct/wat 1.90 Crippen Calculated Property
Pc 2064.24 kPa Joback Calculated Property
Tboil 736.34 K Joback Calculated Property
Tc 942.40 K Joback Calculated Property
Tfus 478.07 K Joback Calculated Property
Vc 0.78 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 564.66 J/mol×K 736.34 Joback Calculated Property
η 0.00 Pa×s 736.34 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 3
>C=O (nonring) 2
=CH- (ring) 2
=C< (ring) 4
-CH2- 2
-CH3 4

Similar Compounds

2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl-desamino-COOH-), methyl-acetylated, I. 2-(4-Ethyl-2-acetoxy-5-methoxyphenyl)acetic acid, methyl ester. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl-desamino-COOH-), methyl-acetylated, II. 2,5-Di hydroxyphenylacetic acid, TFA-ME. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (desamino-COOH-), methyl. 2-(4-Ethyl-2,5-dimethoxyphenyl)acetic acid, methyl ester. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl-desamino-HO-), acetylated, I. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl-desamino-HO-), acetylated, II. Homogentisic acid, dimethyl ether, methyl ester. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (HO-desamino-COOH), isomer 2, methyl-acetylated. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (HO-desamino-COOH), isomer 1, methyl-acetylated. 2-(4-Acetyl-2,5-dimethoxyphenyl)acetic acid, methyl ester. Benzeneacetic acid, 2,5-dimethoxy-. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (desamino-HOOC-O-desmethyl-), methyl-TFA. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (desamino-HO-), acetylated.

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