Chemical Properties of 1-Butanone, 1-(2,4,5-trihydroxyphenyl)- (CAS 1421-63-2)

1-Butanone, 1-(2,4,5-trihydroxyphenyl)-

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InChI
InChI=1S/C10H12O4/c1-2-3-7(11)6-4-9(13)10(14)5-8(6)12/h4-5,12-14H,2-3H2,1H3
InChI Key
SRUQARLMFOLRDN-UHFFFAOYSA-N
Formula
C10H12O4
SMILES
CCCC(=O)c1cc(O)c(O)cc1O
Molecular Weight1
196.20
CAS
1421-63-2
Other Names
  • 1-(2,4,5-Trihydroxyphenyl)-1-butanone
  • 2',4',5'-Trihydroxybutyrophenone
  • 2,4,5-Trihydroxybutyrophenone
  • Butyrophenone, 2',4',5'-trihydroxy-
  • NSC 73478
  • THBP
  • USAF EK
Sources

Physical Properties

Property Value Unit Source
Δf -447.05 kJ/mol Joback Calculated Property
Δfgas -657.71 kJ/mol Joback Calculated Property
Δfus 34.64 kJ/mol Joback Calculated Property
Δvap 85.92 kJ/mol Joback Calculated Property
logPoct/wat 1.79 Crippen Calculated Property
Pc 5594.19 kPa Joback Calculated Property
Tboil 750.61 K Joback Calculated Property
Tc 993.14 K Joback Calculated Property
Tfus 613.97 K Joback Calculated Property
Vc 0.39 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 412.30 J/mol×K 750.61 Joback Calculated Property
η 0.00 Pa×s 750.61 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>C=O (nonring) 1
=CH- (ring) 2
=C< (ring) 4
-CH2- 2
-CH3 1
-OH (phenol) 3

Similar Compounds

Acetophenone, 2,4,5-trihydroxy. 2',5'-Dihydroxypropiophenone. 3',4'-Dihydroxybutyrophenone. Flopropione. 1-(2,4,5-Trimethoxyphenyl)butan-1-one. Ethanone, 1-(2,3,4-trihydroxyphenyl)-. Acetophenone, 2,3,4-trihydroxy-. Butyrovanillone. 1-(2,4,5-Trimethoxyphenyl)propan-1-one. O-acetoacetylphenol. Ethanone, 1-(2,5-dihydroxyphenyl)-. jensenone. ortho-Hydroxypropiophenone. Propiovanillone. propiovanillone.

Find more compounds similar to 1-Butanone, 1-(2,4,5-trihydroxyphenyl)-.

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