Chemical Properties of Sucrose dipalmitate (CAS 248917-86-4)

InChI

InChI=1S/C44H82O13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(46)53-32-35-38(48)40(50)41(51)43(55-35)57-44(42(52)39(49)34(31-45)56-44)33-54-37(47)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,38-43,45,48-52H,3-33H2,1-2H3

InChI Key

HQQGQPZMCTVNNX-UHFFFAOYSA-N

Formula

C44H82O13

SMILES

CCCCCCCCCCCCCCCC(=O)OCC1OC(OC2(COC(=O)CCCCCCCCCCCCCCC)OC(CO)C(O)C2O)C(O)C(O)C1O

Molecular Weight¹

819.11

CAS

248917-86-4

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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, Ionization energy 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	[1037.28; 2497.43]	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			-2.89090e+01
Coefficient B			4.56924e+00
Coefficient C			-2.57740e-03
Coefficient D			5.34500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	1037.28	J/mol×K	273.00	Calculated Property
Cp,gas	1288.67	J/mol×K	353.78	Calculated Property
Cp,gas	1513.83	J/mol×K	434.56	Calculated Property
Cp,gas	1714.45	J/mol×K	515.33	Calculated Property
Cp,gas	1892.21	J/mol×K	596.11	Calculated Property
Cp,gas	2048.82	J/mol×K	676.89	Calculated Property
Cp,gas	2185.95	J/mol×K	757.67	Calculated Property
Cp,gas	2305.30	J/mol×K	838.44	Calculated Property
Cp,gas	2408.57	J/mol×K	919.22	Calculated Property
Cp,gas	2497.43	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Sucrose dipalmitate.

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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