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

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

InChI
InChI=1S/C11H5F6NO6/c12-10(13,14)8(19)23-4-5-3-6(18(21)22)1-2-7(5)24-9(20)11(15,16)17/h1-3H,4H2
InChI Key
KRUMBDKHYXTJHW-UHFFFAOYSA-N
Formula
C11H5F6NO6
SMILES
O=C(OCc1cc([N+](=O)[O-])ccc1OC(=O)C(F)(F)F)C(F)(F)F
Molecular Weight1
361.15
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 38.10 kJ/mol Joback Calculated Property
logPoct/wat 2.668 Crippen Calculated Property
McVol 185.010 ml/mol McGowan Calculated Property
Inp [1457.00; 1457.00]   Show Hide
Inp 1457.00 NIST
Inp 1457.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [529.59; 567.46] J/mol×K [781.30; 988.61] Show Hide
Cp,gas 529.59 J/mol×K 781.30 Joback Calculated Property
Cp,gas 537.73 J/mol×K 815.85 Joback Calculated Property
Cp,gas 545.08 J/mol×K 850.40 Joback Calculated Property
Cp,gas 551.69 J/mol×K 884.95 Joback Calculated Property
Cp,gas 557.60 J/mol×K 919.51 Joback Calculated Property
Cp,gas 562.84 J/mol×K 954.06 Joback Calculated Property
Cp,gas 567.46 J/mol×K 988.61 Joback Calculated Property

Similar Compounds

2-Hydroxy-5-nitrobenzyl alcohol, bis(pentafluoropropionate). 2-Hydroxy-5-nitrobenzyl alcohol, bis(heptafluorobutyrate). 5-Bromo-2-hydroxybenzyl alcohol, bis(trifluoroacetate). 2-Hydroxybenzyl alcohol, bis(trifluoroacetate). Glutaric acid, 3-chlorophenyl 3-nitrobenzyl ester. Glutaric acid, 2,3-dichlorophenyl 3-nitrobenzyl ester. Glutaric acid, 2-fluorophenyl 3-nitrobenzyl ester. Glutaric acid, 2,4,6-trichlorophenyl 3-nitrobenzyl ester. Lysergol. (-)-2-Aminobutan-1-ol, ferroceneboronate derivative. Carteolol hydroxy, acetylated. 3,20-Dioxo-11«beta»,18-epoxy-17«alpha»,18,21-trihydroxy-4-pregnene, MO-TMS, anti. 3,20-Dioxo-11«beta»,18-epoxy-17«alpha»,18,21-trihydroxy-4-pregnene, MO-TMS, syn. Carteolol, acetylated. Bendroflumethiazide.

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

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.