Chemical Properties of Vanillin, trifluoroacetate

Vanillin, trifluoroacetate

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InChI
InChI=1S/C10H7F3O4/c1-16-8-4-6(5-14)2-3-7(8)17-9(15)10(11,12)13/h2-5H,1H3
InChI Key
CZRDEKBEQVBOMB-UHFFFAOYSA-N
Formula
C10H7F3O4
SMILES
COc1cc(C=O)ccc1OC(=O)C(F)(F)F
Molecular Weight1
248.16
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Physical Properties

Property Value Unit Source
Δf -893.56 kJ/mol Joback Calculated Property
Δfgas -1095.82 kJ/mol Joback Calculated Property
Δfus 23.01 kJ/mol Joback Calculated Property
Δvap 55.99 kJ/mol Joback Calculated Property
log10WS -2.81 Crippen Calculated Property
logPoct/wat 1.975 Crippen Calculated Property
McVol 148.190 ml/mol McGowan Calculated Property
Pc 2799.47 kPa Joback Calculated Property
Inp [1314.00; 1314.00]   Show Hide
Inp 1314.00 NIST
Inp 1314.00 NIST
Tboil 606.79 K Joback Calculated Property
Tc 805.18 K Joback Calculated Property
Tfus 394.50 K Joback Calculated Property
Vc 0.590 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [367.06; 419.26] J/mol×K [606.79; 805.18] Show Hide
Cp,gas 367.06 J/mol×K 606.79 Joback Calculated Property
Cp,gas 377.32 J/mol×K 639.86 Joback Calculated Property
Cp,gas 386.94 J/mol×K 672.92 Joback Calculated Property
Cp,gas 395.93 J/mol×K 705.99 Joback Calculated Property
Cp,gas 404.31 J/mol×K 739.05 Joback Calculated Property
Cp,gas 412.08 J/mol×K 772.12 Joback Calculated Property
Cp,gas 419.26 J/mol×K 805.18 Joback Calculated Property

Similar Compounds

Vanillin, acetate. Vanillin, pentafluoropropionate. 3-Hydroxy-4-methoxybenzaldehyde, acetate. Benzaldehyde, 3,4-dimethoxy-. Vanillin, heptafluorobutyrate. 4-Ethoxy-3-anisaldehyde. 3,4-Diethoxybenzaldehyde. Vanillin. 4'-Hydroxy-3'-methoxyacetophenone, trifluoroacetate. 1,4-Benzodioxan-6-carboxaldehyde. 2-Hydroxy-3-methoxybenzaldehyde, trifluoroacetate. Piperonal. Ethyl Vanillin. 4-Hydroxy-3-methoxybenzyl alcohol, bis(trifluoroacetate). Benzaldehyde, 3-hydroxy-4-methoxy-.

Find more compounds similar to Vanillin, trifluoroacetate.

Sources

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