Chemical Properties of Coniferyl alcohol, bis(pentafluoropropionate)

Coniferyl alcohol, bis(pentafluoropropionate)

InChI
InChI=1S/C16H10F10O5/c1-29-10-7-8(3-2-6-30-11(27)13(17,18)15(21,22)23)4-5-9(10)31-12(28)14(19,20)16(24,25)26/h2-5,7H,6H2,1H3/b3-2+
InChI Key
UHRCNGVEVAKRPZ-NSCUHMNNSA-N
Formula
C16H10F10O5
SMILES
COc1cc(C=CCOC(=O)C(F)(F)C(F)(F)F)ccc1OC(=O)C(F)(F)C(F)(F)F
Molecular Weight1
472.23
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Physical Properties

Property Value Unit Source
Δfus 41.73 kJ/mol Joback Calculated Property
logPoct/wat 4.552 Crippen Calculated Property
McVol 246.690 ml/mol McGowan Calculated Property
Inp 1634.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [728.16; 781.24] J/mol×K [725.12; 899.99] Show Hide
Cp,gas 728.16 J/mol×K 725.12 Joback Calculated Property
Cp,gas 739.05 J/mol×K 754.27 Joback Calculated Property
Cp,gas 749.05 J/mol×K 783.41 Joback Calculated Property
Cp,gas 758.21 J/mol×K 812.56 Joback Calculated Property
Cp,gas 766.59 J/mol×K 841.70 Joback Calculated Property
Cp,gas 774.25 J/mol×K 870.85 Joback Calculated Property
Cp,gas 781.24 J/mol×K 899.99 Joback Calculated Property

Similar Compounds

Coniferyl alcohol, bis(heptafluorobutyrate). Coniferyl alcohol, bis(trifluoroacetate). Phenol, 4-[3-(acetyloxy)-1-propenyl]-2-methoxy-, acetate. Pseudoisoeugenyl 2-ethylbutyrate I. Pseudoisoeugenyl 2-methylbutyrate II. Pseudoisoeugenyl-2-methyl butyrate. 3-Methyl-3-butenyl (E)-3-acetylcaffeate, TMS. 3-Methyl-2-butenyl (E)-3-acetylcaffeate, TMS. Zearalenone, bis(pentafluoropropionate). 2-Phenylethyl (E)-3-acetylcaffeate, TMS. Isoeugenyl isovalerate. 3-Methyl-3-butenyl (E)-4-acetylcaffeate, TMS. 4-[2-(4-Allyl-2,6-dimethoxy-phenoxy)-1-hydroxy-propyl]-2-methoxy-phenol, TPS. 5-(((1R,3aR,4S,6aR)-4-(Benzo[d][1,3]dioxol-5-yl)hexahydrofuro[3,4-c]furan-1-yl)oxy)benzo[d][1,3]dioxole. Paroxetine.

Find more compounds similar to Coniferyl alcohol, bis(pentafluoropropionate).

Sources

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