Chemical Properties of Homovanillic acid, propionyl, DTFMBz

Homovanillic acid, propionyl, DTFMBz

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InChI
InChI=1S/C21H18F6O5/c1-3-18(28)32-16-5-4-12(8-17(16)30-2)9-19(29)31-11-13-6-14(20(22,23)24)10-15(7-13)21(25,26)27/h4-8,10H,3,9,11H2,1-2H3
InChI Key
IJMVJFKAKWPQAB-UHFFFAOYSA-N
Formula
C21H18F6O5
SMILES
CCC(=O)Oc1ccc(CC(=O)OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC
Molecular Weight1
464.36
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Physical Properties

Property Value Unit Source
Δf -1423.78 kJ/mol Joback Calculated Property
Δfgas -1865.57 kJ/mol Joback Calculated Property
Δfus 47.09 kJ/mol Joback Calculated Property
Δvap 82.77 kJ/mol Joback Calculated Property
log10WS -6.72 Crippen Calculated Property
logPoct/wat 5.334 Crippen Calculated Property
McVol 290.600 ml/mol McGowan Calculated Property
Pc 1285.59 kPa Joback Calculated Property
Inp [2198.00; 2198.00]   Show Hide
Inp 2198.00 NIST
Inp 2198.00 NIST
Tboil 917.32 K Joback Calculated Property
Tc 1127.42 K Joback Calculated Property
Tfus 604.28 K Joback Calculated Property
Vc 1.147 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [907.39; 959.73] J/mol×K [917.32; 1127.42] Show Hide
Cp,gas 907.39 J/mol×K 917.32 Joback Calculated Property
Cp,gas 918.75 J/mol×K 952.34 Joback Calculated Property
Cp,gas 928.99 J/mol×K 987.35 Joback Calculated Property
Cp,gas 938.16 J/mol×K 1022.37 Joback Calculated Property
Cp,gas 946.31 J/mol×K 1057.38 Joback Calculated Property
Cp,gas 953.48 J/mol×K 1092.40 Joback Calculated Property
Cp,gas 959.73 J/mol×K 1127.42 Joback Calculated Property

Similar Compounds

3,4-Dihydroxyphenylacetic acid, propionyl, DTFMBz. Homovanillic acid, acetyl, DTFMBz. 3,4-Dihydroxyphenylacetic acid, acetyl, DTFMBz. p-Hydroxyphenylacetic acid, propionyl, DTFMBz. Vanillylmandelic acid, acetyl, DTFMBz. Dihydroxymandelic acid, propionyl, DTFMBz. Dihydroxymandelic acid, acetyl, DTFMBz. p-Hydroxymandelic acid, propionyl, DTFMBz. p-Hydroxyphenylacetic acid, acetyl, DTFMBz. 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. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 2. Naloxone, bis(trimethylsilyl) ether. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-acetyl. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl, 5'-O-acetyl.

Find more compounds similar to Homovanillic acid, propionyl, DTFMBz.

Sources

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