Chemical Properties of 4-Hydroxy-3-methoxybenzyl alcohol, bis(trifluoroacetate)

4-Hydroxy-3-methoxybenzyl alcohol, bis(trifluoroacetate)

InChI
InChI=1S/C12H8F6O5/c1-21-8-4-6(5-22-9(19)11(13,14)15)2-3-7(8)23-10(20)12(16,17)18/h2-4H,5H2,1H3
InChI Key
PDIASPQUSUCDCN-UHFFFAOYSA-N
Formula
C12H8F6O5
SMILES
COc1cc(COC(=O)C(F)(F)F)ccc1OC(=O)C(F)(F)F
Molecular Weight1
346.18
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Physical Properties

Property Value Unit Source
Δfus 33.68 kJ/mol Joback Calculated Property
logPoct/wat 2.768 Crippen Calculated Property
McVol 187.550 ml/mol McGowan Calculated Property
Inp [1335.00; 1335.00]   Show Hide
Inp 1335.00 NIST
Inp 1335.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [508.02; 563.10] J/mol×K [638.82; 817.86] Show Hide
Cp,gas 508.02 J/mol×K 638.82 Joback Calculated Property
Cp,gas 519.08 J/mol×K 668.66 Joback Calculated Property
Cp,gas 529.36 J/mol×K 698.50 Joback Calculated Property
Cp,gas 538.89 J/mol×K 728.34 Joback Calculated Property
Cp,gas 547.67 J/mol×K 758.18 Joback Calculated Property
Cp,gas 555.74 J/mol×K 788.02 Joback Calculated Property
Cp,gas 563.10 J/mol×K 817.86 Joback Calculated Property

Similar Compounds

3-Hydroxy-4-methoxybenzyl alcohol, di(trifluoroacetate). 4-Hydroxy-3-methoxybenzyl alcohol, bis(pentafluoropropionate). 3-Hydroxy-4-methoxybenzyl alcohol, di(acetate). 3-Hydroxy-4-methoxybenzyl alcohol, di(pentafluoropropionate). 3-trifluoroacetyloxy-4-methoxybenzyl alcohol, O-heptafluorobutyryl-. 4-Hydroxy-3-methoxybenzyl alcohol, bis(heptafluorobutyrate). 3-Heptafluorobutyryloxy-4-methoxybenzyl alcohol, O-pentafluoropropionyl-. 3-Hydroxy-4-methoxybenzyl alcohol, di(heptafluorobutyrate). 3-Pentafluoropropionyloxy-4-methoxybenzyl alcohol, O-heptafluorobutyryl-. Piperonyl acetate. Benzenemehanol, 4-hydroxy-3-methoxy, acetate. 1,2-dimethoxy-4-(methoxymethyl)benzene. 3-Hydroxybenzyl alcohol, bis(trifluoroacetate). Phenol, 2-methoxy-5-acetoxymethyl-. Phenol, 2-methoxy-4-(methoxymethyl)-.

Find more compounds similar to 4-Hydroxy-3-methoxybenzyl alcohol, bis(trifluoroacetate).

Sources

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