Chemical Properties of Vanillin, pentafluoropropionate

Vanillin, pentafluoropropionate

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InChI
InChI=1S/C11H7F5O4/c1-19-8-4-6(5-17)2-3-7(8)20-9(18)10(12,13)11(14,15)16/h2-5H,1H3
InChI Key
TWLVCWDHNWXSQR-UHFFFAOYSA-N
Formula
C11H7F5O4
SMILES
COc1cc(C=O)ccc1OC(=O)C(F)(F)C(F)(F)F
Molecular Weight1
298.16
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Physical Properties

Property Value Unit Source
Δf -1271.92 kJ/mol Joback Calculated Property
Δfgas -1517.43 kJ/mol Joback Calculated Property
Δfus 24.35 kJ/mol Joback Calculated Property
Δvap 55.29 kJ/mol Joback Calculated Property
log10WS -3.54 Crippen Calculated Property
logPoct/wat 2.611 Crippen Calculated Property
McVol 165.820 ml/mol McGowan Calculated Property
Pc 2363.37 kPa Joback Calculated Property
Inp 1332.00 NIST
Tboil 624.98 K Joback Calculated Property
Tc 814.52 K Joback Calculated Property
Tfus 409.37 K Joback Calculated Property
Vc 0.670 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [434.35; 486.56] J/mol×K [624.98; 814.52] Show Hide
Cp,gas 434.35 J/mol×K 624.98 Joback Calculated Property
Cp,gas 444.76 J/mol×K 656.57 Joback Calculated Property
Cp,gas 454.45 J/mol×K 688.16 Joback Calculated Property
Cp,gas 463.45 J/mol×K 719.75 Joback Calculated Property
Cp,gas 471.78 J/mol×K 751.34 Joback Calculated Property
Cp,gas 479.47 J/mol×K 782.93 Joback Calculated Property
Cp,gas 486.56 J/mol×K 814.52 Joback Calculated Property

Similar Compounds

Vanillin, heptafluorobutyrate. Vanillin, trifluoroacetate. Vanillin, acetate. 4'-Hydroxy-3'-methoxyacetophenone, pentafluoropropionate. 2-Hydroxy-3-methoxybenzaldehyde, pentafluoropropionate. 3-Hydroxy-4-methoxybenzaldehyde, acetate. 4-Hydroxy-3-methoxybenzyl alcohol, bis(pentafluoropropionate). 4'-Hydroxy-3'-methoxyacetophenone, heptafluorobutyrate. 3-Hydroxy-4-methoxybenzyl alcohol, di(pentafluoropropionate). 2-Hydroxy-3-methoxybenzaldehyde, heptafluorobutyrate. 4-Hydroxy-3-methoxybenzyl alcohol, bis(heptafluorobutyrate). 4-Ethoxy-3-anisaldehyde. 3-Pentafluoropropionyloxy-4-methoxybenzyl alcohol, O-heptafluorobutyryl-. 3-Heptafluorobutyryloxy-4-methoxybenzyl alcohol, O-pentafluoropropionyl-. 3-Hydroxy-4-methoxybenzyl alcohol, di(heptafluorobutyrate).

Find more compounds similar to Vanillin, pentafluoropropionate.

Sources

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