Chemical Properties of Benzeneethanol, 2,5-dimethoxy-4-propylthio, acetate

Benzeneethanol, 2,5-dimethoxy-4-propylthio, acetate

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InChI
InChI=1S/C15H22O4S/c1-5-8-20-15-10-13(17-3)12(9-14(15)18-4)6-7-19-11(2)16/h9-10H,5-8H2,1-4H3
InChI Key
UKRIFYCTPFVBTE-UHFFFAOYSA-N
Formula
C15H22O4S
SMILES
CCCSc1cc(OC)c(CCOC(C)=O)cc1OC
Molecular Weight1
298.40
Sources

Physical Properties

Property Value Unit Source
Δf -251.86 kJ/mol Joback Calculated Property
Δfgas -618.18 kJ/mol Joback Calculated Property
Δfus 36.77 kJ/mol Joback Calculated Property
Δvap 74.04 kJ/mol Joback Calculated Property
logPoct/wat 3.31 Crippen Calculated Property
Pc 1821.61 kPa Joback Calculated Property
Tboil 774.13 K Joback Calculated Property
Tc 985.38 K Joback Calculated Property
Tfus 473.81 K Joback Calculated Property
Vc 0.88 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 659.25 J/mol×K 774.13 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 3
>C=O (nonring) 1
=CH- (ring) 2
-CH2- 4
=C< (ring) 4
-S- 1
-CH3 4

Similar Compounds

Benzeneacetic acid, 2,5-dimethoxy-4-propylthio, methyl ester. Phenethylamine, 2,5-dimethoxy-4-propylthio, N-methylene. Phenethylamine, 2,5-dimethoxy-4-propylthio, N-trifluoroacetyl. N-Trifluoroacetyl-2,5-dimethoxy-4-trifluoroacetoxypropylthio-«beta»-phenethylamine. Phenethylamine, 2,5-dimethoxy-4-methylthio, N-acetyl. Phenethylamine, 2,5-dimethoxy-4-propylthio, N-acetyl, hydroxy-M. Phenethylamine, 2,5-dimethoxy-4-methylthio, sulfoxide, N-acetyl. Phenethylamine, 2,5-dimethoxy-4-propylthio, N-acetyl, acetoxy-M. Phenethylamine, 2,5-dimethoxy-4-mercapto, N-acetyl. 4-Methylthioamphetamine-M (ring-HO-) diacetylated. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (desamino-HO-), acetylated. 2-(2,5-Dimethoxy-4-ethylphenyl)ethanol, acetate. Phenethylamine, 2,5-dimethoxy-4-propylthio, N-acetyl, sulfone, acetoxy-M. 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.

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