Chemical Properties of Acetamide, n-(beta,3,4-trihydroxyphenethyl)-, 3,4-diacetate

Acetamide, n-(beta,3,4-trihydroxyphenethyl)-, 3,4-diacetate

InChI
InChI=1S/C14H17NO6/c1-8(16)15-7-12(19)11-4-5-13(20-9(2)17)14(6-11)21-10(3)18/h4-6,12,19H,7H2,1-3H3,(H,15,16)
InChI Key
SBCYFIYIVXKFBL-UHFFFAOYSA-N
Formula
C14H17NO6
SMILES
CC(=O)NCC(O)c1ccc(OC(C)=O)c(OC(C)=O)c1
Molecular Weight1
295.29
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Physical Properties

Property Value Unit Source
ΔfusH° 41.28 kJ/mol Joback Calculated Property
logPoct/wat 0.707 Crippen Calculated Property
McVol 216.660 ml/mol McGowan Calculated Property

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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [312.29; 678.33] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A4.54310e+01
Coefficient B1.11446e+00
Coefficient C-5.09220e-04
Coefficient D2.76600e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 312.29 J/mol×K 273.00 Calculated Property
Cp,gas 377.19 J/mol×K 353.78 Calculated Property
Cp,gas 435.84 J/mol×K 434.56 Calculated Property
Cp,gas 488.30 J/mol×K 515.33 Calculated Property
Cp,gas 534.68 J/mol×K 596.11 Calculated Property
Cp,gas 575.06 J/mol×K 676.89 Calculated Property
Cp,gas 609.53 J/mol×K 757.67 Calculated Property
Cp,gas 638.17 J/mol×K 838.44 Calculated Property
Cp,gas 661.08 J/mol×K 919.22 Calculated Property
Cp,gas 678.33 J/mol×K 1000.00 Calculated Property

Similar Compounds

Acetamide, N-[2-[3,4-bis(acetyloxy)phenyl]-2-hydroxyethyl]-N-methyl-. (-)-Norepinephrine, N,O,O',O''-tetrakis(trifluoroacetyl)-. Octopamine, N-acetyl-TFA. Acetamide, N-[2-(acetyloxy)-2-[4-(acetyloxy)phenyl]ethyl]-. (-)-Norepinephrine, N,O,O',O''-tetrakis(pentafluoropropionyl)-. (-)-Norepinephrine, N,O,O',O''-tetrakis(heptafluorobutyryl)-. Noradrenaline, N-HFB-O-TMS. Isoproterenol. 1,2-Benzenediol, 4-[2-[[2-(1,3-benzodioxol-5-yl)-1-methylethyl]amino]-1-hydroxyethyl]-. Normethanephrine, N-TFA-O-TMS. p-Octopamine, N-acetate, PFP. DL-Metanephrine, N,O,O'-tris(trifluoroacetyl)-. N-Stearoyldextramine. cis-Phenanthrene, 9,10-dihydro-9-methyl-9,10-diol, 3,4-dimethoxy, diacetate. Desipramine M(HO), acetylated.

Find more compounds similar to Acetamide, n-(beta,3,4-trihydroxyphenethyl)-, 3,4-diacetate.

Sources

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