Chemical Properties of 2-Hydroxy-5-nitrobenzyl alcohol, bis(heptafluorobutyrate)

2-Hydroxy-5-nitrobenzyl alcohol, bis(heptafluorobutyrate)

InChI
InChI=1S/C15H5F14NO6/c16-10(17,12(20,21)14(24,25)26)8(31)35-4-5-3-6(30(33)34)1-2-7(5)36-9(32)11(18,19)13(22,23)15(27,28)29/h1-3H,4H2
InChI Key
MNKOHAODRWVWML-UHFFFAOYSA-N
Formula
C15H5F14NO6
SMILES
O=C(OCc1cc([N+](=O)[O-])ccc1OC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
561.18
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Physical Properties

Property Value Unit Source
Δfus 46.60 kJ/mol Joback Calculated Property
logPoct/wat 5.209 Crippen Calculated Property
McVol 255.530 ml/mol McGowan Calculated Property
Inp [1515.00; 1515.00]   Show Hide
Inp 1515.00 NIST
Inp 1515.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [804.95; 839.67] J/mol×K [818.12; 1006.13] Show Hide
Cp,gas 804.95 J/mol×K 818.12 Joback Calculated Property
Cp,gas 812.44 J/mol×K 849.46 Joback Calculated Property
Cp,gas 819.11 J/mol×K 880.79 Joback Calculated Property
Cp,gas 825.06 J/mol×K 912.13 Joback Calculated Property
Cp,gas 830.40 J/mol×K 943.46 Joback Calculated Property
Cp,gas 835.24 J/mol×K 974.80 Joback Calculated Property
Cp,gas 839.67 J/mol×K 1006.13 Joback Calculated Property

Similar Compounds

2-Hydroxy-5-nitrobenzyl alcohol, bis(pentafluoropropionate). 2-Hydroxy-5-nitrobenzyl alcohol, bis(trifluoroacetate). 2-Hydroxybenzyl alcohol, bis(heptafluorobutyrate). 5-Bromo-2-hydroxybenzyl alcohol, bis(heptafluorobutyrate). (-)-2-Aminobutan-1-ol, ferroceneboronate derivative. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate. Butorphanol di-TMS derivative. cis-1,2-Tetralinediol, ferrocenylboronate. Hydrastine. Cytosine arabinoside, dimethyl-allyldimethylsilyl derivative. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. N6-(cyclotetramethylene-tertbutylsilyl)-2'-Deoxyadenosine, 3',5'-bis-O-TBDMS. 2'-Deoxyguanosine, tris(trimethylsilyl) deriv.. 2'-Deoxyadenosine, 3',5',N6-tris(O-TMTBSi). Noscapine.

Find more compounds similar to 2-Hydroxy-5-nitrobenzyl alcohol, bis(heptafluorobutyrate).

Sources

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