Chemical Properties of 5-Bromo-2-hydroxybenzyl alcohol, bis(pentafluoropropionate)

5-Bromo-2-hydroxybenzyl alcohol, bis(pentafluoropropionate)

InChI
InChI=1S/C13H5BrF10O4/c14-6-1-2-7(28-9(26)11(17,18)13(22,23)24)5(3-6)4-27-8(25)10(15,16)12(19,20)21/h1-3H,4H2
InChI Key
PFQQFEFDFVAAAY-UHFFFAOYSA-N
Formula
C13H5BrF10O4
SMILES
O=C(OCc1cc(Br)ccc1OC(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
Molecular Weight1
495.06
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° 37.86 kJ/mol Joback Calculated Property
logPoct/wat 4.793 Crippen Calculated Property
McVol 220.350 ml/mol McGowan Calculated Property
Inp [1332.00; 1332.00]   Show Hide
Inp 1332.00 NIST
Inp 1332.00 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 [607.48; 650.22] J/mol×K [696.06; 875.92] Show Hide
Cp,gas 607.48 J/mol×K 696.06 Joback Calculated Property
Cp,gas 616.56 J/mol×K 726.04 Joback Calculated Property
Cp,gas 624.77 J/mol×K 756.01 Joback Calculated Property
Cp,gas 632.18 J/mol×K 785.99 Joback Calculated Property
Cp,gas 638.85 J/mol×K 815.96 Joback Calculated Property
Cp,gas 644.84 J/mol×K 845.94 Joback Calculated Property
Cp,gas 650.22 J/mol×K 875.92 Joback Calculated Property

Similar Compounds

5-Bromo-2-hydroxybenzyl alcohol, bis(heptafluorobutyrate). 2-Hydroxybenzyl alcohol, bis(pentafluoropropionate). 5-Bromo-2-hydroxybenzyl alcohol, bis(trifluoroacetate). 2-Hydroxybenzyl alcohol, bis(heptafluorobutyrate). 2-Hydroxy-5-nitrobenzyl alcohol, bis(pentafluoropropionate). 2-Hydroxy-5-nitrobenzyl alcohol, bis(heptafluorobutyrate). Succinic acid, 5-bromo-2-methoxybenzyl ethyl ester. Succinic acid, di(5-bromo-2-methoxybenzyl) ester. Succinic acid, 5-bromo-2-methoxybenzyl propyl ester. Succinic acid, 5-bromo-2-methoxybenzyl isobutyl ester. Sebacic acid, ethyl 2-methoxy-5-bromobenzyl ester. Succinic acid, 5-bromo-2-methoxybenzyl undecyl ester. Succinic acid, 5-bromo-2-methoxybenzyl decyl ester. Succinic acid, 5-bromo-2-methoxybenzyl hexyl ester. Succinic acid, 5-bromo-2-methoxybenzyl dodecyl ester.

Find more compounds similar to 5-Bromo-2-hydroxybenzyl alcohol, bis(pentafluoropropionate).

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.
These property values are available through the Cheméo API. A free account gives you an access key.