Chemical Properties of 4-Hydroxyphenethyl alcohol, bis(heptafluorobutyrate)

4-Hydroxyphenethyl alcohol, bis(heptafluorobutyrate)

InChI
InChI=1S/C16H8F14O4/c17-11(18,13(21,22)15(25,26)27)9(31)33-6-5-7-1-3-8(4-2-7)34-10(32)12(19,20)14(23,24)16(28,29)30/h1-4H,5-6H2
InChI Key
LTRMDJZKFVUVMX-UHFFFAOYSA-N
Formula
C16H8F14O4
SMILES
O=C(OCCc1ccc(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1)C(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
530.21
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Physical Properties

Property Value Unit Source
ΔfusH° 35.06 kJ/mol Joback Calculated Property
logPoct/wat 5.344 Crippen Calculated Property
McVol 252.200 ml/mol McGowan Calculated Property
Inp 1390.00 NIST
Tboil 540.47 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [772.02; 823.00] J/mol×K [720.12; 888.26] Show Hide
Cp,gas 772.02 J/mol×K 720.12 Joback Calculated Property
Cp,gas 782.43 J/mol×K 748.14 Joback Calculated Property
Cp,gas 791.98 J/mol×K 776.17 Joback Calculated Property
Cp,gas 800.73 J/mol×K 804.19 Joback Calculated Property
Cp,gas 808.77 J/mol×K 832.21 Joback Calculated Property
Cp,gas 816.17 J/mol×K 860.24 Joback Calculated Property
Cp,gas 823.00 J/mol×K 888.26 Joback Calculated Property

Similar Compounds

4-Hydroxyphenethyl alcohol, bis(pentafluoropropionate). 4-Hydroxyphenethyl alcohol, bis(trifluoroacetate). 1-Heptafluorobutyryloxy-2-phenylethane. Succinic acid, phenethyl 4-isopropylphenyl ester. (R)-p-Hydroxyphenyllactic acid, (S)-(+)-3-methyl-2-butyl ester, O-TFA. (S)-p-Hydroxyphenyllactic acid, (S)-(+)-3-methyl-2-butyl ester, O-TFA. Coniferyl alcohol, bis(heptafluorobutyrate). p-Hydroxyphenyllactic acid, TFA-ME. Butanoic acid, heptafluoro-, 4-[2-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]-1-(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)ethyl]phenyl ester. Succinic acid, 2-fluorophenyl phenethyl ester. Butanoic acid, heptafluoro-, 4-[2-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]ethyl]-1,2-phenylene ester. (-)-Norepinephrine, N,O,O',O''-tetrakis(heptafluorobutyryl)-. (-)-Epinephrine, N,O,O',O''-tetrakis(heptafluorobutyryl)-. (.+/-.)-Epinephrine, N,O,O',O''-tetrakis(heptafluorobutyryl)-. DL-Metanephrine, N,O,O'-tris(heptafluorobutyryl)-.

Find more compounds similar to 4-Hydroxyphenethyl alcohol, bis(heptafluorobutyrate).

Sources

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