Chemical Properties of Homovanillic acid, TFA-ME

Homovanillic acid, TFA-ME

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C12H11F3O5/c1-18-9-5-7(6-10(16)19-2)3-4-8(9)20-11(17)12(13,14)15/h3-5H,6H2,1-2H3
InChI Key
VBXONNMYYFIPNO-UHFFFAOYSA-N
Formula
C12H11F3O5
SMILES
COC(=O)Cc1ccc(OC(=O)C(F)(F)F)c(OC)c1
Molecular Weight1
292.21
Sources

Physical Properties

Property Value Unit Source
Δf -1011.12 kJ/mol Joback Calculated Property
Δfgas -1296.32 kJ/mol Joback Calculated Property
Δfus 28.69 kJ/mol Joback Calculated Property
Δvap 62.88 kJ/mol Joback Calculated Property
logPoct/wat 1.88 Crippen Calculated Property
Pc 2246.13 kPa Joback Calculated Property
Tboil 680.18 K Joback Calculated Property
Tc 876.29 K Joback Calculated Property
Tfus 447.20 K Joback Calculated Property
Vc 0.71 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 487.66 J/mol×K 680.18 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

m-Hydroxyphenylacetic acid, TFA-ME. Dopamine, N-acetyl-TFA. (3-methoxy-4-hexyloxy-phenyl)-acetic acid, methyl ester. 1-(4-Acetoxy-3-methoxyphenyl)-2-propanone. Benzeneacetic acid, 3,4-dimethoxy-, methyl ester. 3-Methoxytyramine, di-TFA. Homovanillic acid, acetyl, DTFMBz. Phenol, 2-methoxy-4-(2-propenyl)-, acetate. (3-methoxy-4-cyclohexylmethoxy-phenyl)-acetic acid, methyl ester. Dihydro-eugenol acetate. Ethyl 3,4-dimethoxyphenyl acetate. Homovanillic acid, propionyl, DTFMBz. Benzeneacetic acid, 4-hydroxy-3-methoxy-, methyl ester. 3-Ethoxy-4-hydroxyphenylacetic acid. 1,2-Diacetoxy-4-allylbenzene.

Find more compounds similar to Homovanillic acid, TFA-ME.

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.