Chemical Properties of 3-Nitrobenzyl alcohol, heptafluorobutyrate

3-Nitrobenzyl alcohol, heptafluorobutyrate

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InChI
InChI=1S/C11H6F7NO4/c12-9(13,10(14,15)11(16,17)18)8(20)23-5-6-2-1-3-7(4-6)19(21)22/h1-4H,5H2
InChI Key
HWXCMQNJHLYUJP-UHFFFAOYSA-N
Formula
C11H6F7NO4
SMILES
O=C(OCc1cccc([N+](=O)[O-])c1)C(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
349.16
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Physical Properties

Property Value Unit Source
Δf -1409.00 kJ/mol Joback Calculated Property
Δfgas -1699.89 kJ/mol Joback Calculated Property
Δfus 31.36 kJ/mol Joback Calculated Property
Δvap 59.16 kJ/mol Joback Calculated Property
log10WS -4.83 Crippen Calculated Property
logPoct/wat 3.471 Crippen Calculated Property
McVol 179.340 ml/mol McGowan Calculated Property
Pc 2147.32 kPa Joback Calculated Property
Inp [1458.00; 1458.00]   Show Hide
Inp 1458.00 NIST
Inp 1458.00 NIST
Tboil 696.07 K Joback Calculated Property
Tc 898.84 K Joback Calculated Property
Tfus 479.83 K Joback Calculated Property
Vc 0.743 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [510.59; 557.47] J/mol×K [696.07; 898.84] Show Hide
Cp,gas 510.59 J/mol×K 696.07 Joback Calculated Property
Cp,gas 520.39 J/mol×K 729.86 Joback Calculated Property
Cp,gas 529.29 J/mol×K 763.66 Joback Calculated Property
Cp,gas 537.37 J/mol×K 797.45 Joback Calculated Property
Cp,gas 544.71 J/mol×K 831.25 Joback Calculated Property
Cp,gas 551.38 J/mol×K 865.04 Joback Calculated Property
Cp,gas 557.47 J/mol×K 898.84 Joback Calculated Property

Similar Compounds

3-Nitrobenzyl alcohol, pentafluoropropionate. 2-Methyl-3-nitrobenzyl alcohol, heptafluorobutyrate. 2-Hydroxy-5-nitrobenzyl alcohol, bis(heptafluorobutyrate). 3-Nitrobenzyl alcohol, trifluoroacetate. 2-Hydroxy-5-nitrobenzyl alcohol, bis(pentafluoropropionate). 2-Methyl-3-nitrobenzyl alcohol, pentafluoropropionate. Succinic acid, 2,2,3,3-tetrafluoropropyl 3-nitrobenzyl ester. Succinic acid, di(3-nitrobenzyl) ester. Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-nitrobenzyl ester. Succinic acid, ethyl 3-nitrobenzyl ester. Glutaric acid, 2,2,3,3-tetrafluoropropyl 3-nitrobenzyl ester. Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-nitrobenzyl ester. Succinic acid, 3-nitrobenzyl propyl ester. Succinic acid, butyl 3-nitrobenzyl ester. Glutaric acid, di(3-nitrobenzyl) ester.

Find more compounds similar to 3-Nitrobenzyl alcohol, heptafluorobutyrate.

Sources

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