Chemical Properties of 3,4-Dihydroxyphenylacetic acid, propionyl, DTFMBz

3,4-Dihydroxyphenylacetic acid, propionyl, DTFMBz

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InChI
InChI=1S/C23H20F6O6/c1-3-19(30)34-17-6-5-13(9-18(17)35-20(31)4-2)10-21(32)33-12-14-7-15(22(24,25)26)11-16(8-14)23(27,28)29/h5-9,11H,3-4,10,12H2,1-2H3
InChI Key
RBSZVXQBUCQJFA-UHFFFAOYSA-N
Formula
C23H20F6O6
SMILES
CCC(=O)Oc1ccc(CC(=O)OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC(=O)CC
Molecular Weight1
506.39
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Physical Properties

Property Value Unit Source
Δf -1535.86 kJ/mol Joback Calculated Property
Δfgas -2019.43 kJ/mol Joback Calculated Property
Δfus 53.87 kJ/mol Joback Calculated Property
Δvap 93.97 kJ/mol Joback Calculated Property
log10WS -7.34 Crippen Calculated Property
logPoct/wat 5.641 Crippen Calculated Property
McVol 320.350 ml/mol McGowan Calculated Property
Pc 1174.44 kPa Joback Calculated Property
Inp [2361.00; 2361.00]   Show Hide
Inp 2361.00 NIST
Inp 2361.00 NIST
Tboil 1016.95 K Joback Calculated Property
Tc 1245.03 K Joback Calculated Property
Tfus 676.75 K Joback Calculated Property
Vc 1.266 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1029.44; 1070.61] J/mol×K [1016.95; 1245.03] Show Hide
Cp,gas 1029.44 J/mol×K 1016.95 Joback Calculated Property
Cp,gas 1039.28 J/mol×K 1054.96 Joback Calculated Property
Cp,gas 1047.84 J/mol×K 1092.98 Joback Calculated Property
Cp,gas 1055.18 J/mol×K 1130.99 Joback Calculated Property
Cp,gas 1061.38 J/mol×K 1169.01 Joback Calculated Property
Cp,gas 1066.50 J/mol×K 1207.02 Joback Calculated Property
Cp,gas 1070.61 J/mol×K 1245.03 Joback Calculated Property

Similar Compounds

Homovanillic acid, propionyl, DTFMBz. 3,4-Dihydroxyphenylacetic acid, acetyl, DTFMBz. Homovanillic acid, acetyl, DTFMBz. p-Hydroxyphenylacetic acid, propionyl, DTFMBz. Dihydroxymandelic acid, propionyl, DTFMBz. Vanillylmandelic acid, acetyl, DTFMBz. Dihydroxymandelic acid, acetyl, DTFMBz. p-Hydroxyphenylacetic acid, acetyl, DTFMBz. p-Hydroxymandelic acid, propionyl, DTFMBz. Tetrahydrocannabinol. 7-[(2-hydroxy-2-phenylacetyl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. Riboflavin, 2',3',4',5'-tetrabutanoate. p-Hydroxyphenylmandelic acid, acetyl, DTFMBz. Naloxone, bis(trimethylsilyl) ether. Oxymorphone.

Find more compounds similar to 3,4-Dihydroxyphenylacetic acid, propionyl, DTFMBz.

Sources

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