Chemical Properties of Vanillin, heptafluorobutyrate

Vanillin, heptafluorobutyrate

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InChI
InChI=1S/C12H7F7O4/c1-22-8-4-6(5-20)2-3-7(8)23-9(21)10(13,14)11(15,16)12(17,18)19/h2-5H,1H3
InChI Key
GJEXMEDKOQTZTK-UHFFFAOYSA-N
Formula
C12H7F7O4
SMILES
COc1cc(C=O)ccc1OC(=O)C(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
348.17
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Physical Properties

Property Value Unit Source
Δf -1650.28 kJ/mol Joback Calculated Property
Δfgas -1939.04 kJ/mol Joback Calculated Property
Δfus 25.68 kJ/mol Joback Calculated Property
Δvap 54.58 kJ/mol Joback Calculated Property
log10WS -4.27 Crippen Calculated Property
logPoct/wat 3.246 Crippen Calculated Property
McVol 183.450 ml/mol McGowan Calculated Property
Pc 2021.76 kPa Joback Calculated Property
Inp [1376.00; 1376.00]   Show Hide
Inp 1376.00 NIST
Inp 1376.00 NIST
Tboil 643.17 K Joback Calculated Property
Tc 825.29 K Joback Calculated Property
Tfus 424.24 K Joback Calculated Property
Vc 0.751 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [502.57; 554.33] J/mol×K [643.17; 825.29] Show Hide
Cp,gas 502.57 J/mol×K 643.17 Joback Calculated Property
Cp,gas 513.00 J/mol×K 673.52 Joback Calculated Property
Cp,gas 522.65 J/mol×K 703.88 Joback Calculated Property
Cp,gas 531.57 J/mol×K 734.23 Joback Calculated Property
Cp,gas 539.80 J/mol×K 764.58 Joback Calculated Property
Cp,gas 547.37 J/mol×K 794.94 Joback Calculated Property
Cp,gas 554.33 J/mol×K 825.29 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to Vanillin, heptafluorobutyrate.

Sources

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