Chemical Properties of Galactopyranoside, p-nitrophenyl, tetraacetate, beta-d- (CAS 2872-66-4)

InChI

InChI=1S/C20H23NO12/c1-10(22)28-9-16-17(29-11(2)23)18(30-12(3)24)19(31-13(4)25)20(33-16)32-15-7-5-14(6-8-15)21(26)27/h5-8,16-20H,9H2,1-4H3/t16-,17+,18+,19-,20-/m1/s1

InChI Key

BEUISCKWILNFIL-LCWAXJCOSA-N

Formula

C20H23NO12

SMILES

CC(=O)OCC1OC(Oc2ccc([N+](=O)[O-])cc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Molecular Weight¹

469.40

CAS

2872-66-4

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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	[471.28; 1057.98]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			7.32010e+01
Coefficient B			1.59554e+00
Coefficient C			-4.62860e-04
Coefficient D			-1.47900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	471.28	J/mol×K	273.00	Calculated Property
Cp,gas	573.19	J/mol×K	353.78	Calculated Property
Cp,gas	667.01	J/mol×K	434.56	Calculated Property
Cp,gas	752.27	J/mol×K	515.33	Calculated Property
Cp,gas	828.51	J/mol×K	596.11	Calculated Property
Cp,gas	895.26	J/mol×K	676.89	Calculated Property
Cp,gas	952.05	J/mol×K	757.67	Calculated Property
Cp,gas	998.41	J/mol×K	838.44	Calculated Property
Cp,gas	1033.88	J/mol×K	919.22	Calculated Property
Cp,gas	1057.98	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Galactopyranoside, p-nitrophenyl, tetraacetate, beta-d-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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