Chemical Properties of 2,4,6-Tri-O-acetyl-1,5-Anhydro-3-O-methyl-D-mannitol

InChI

InChI=1S/C14H22O8/c1-7-12(18-5)13(21-9(3)16)11(20-8(2)15)6-19-14(7)22-10(4)17/h7,11-14H,6H2,1-5H3/t7-,11+,12+,13+,14?/m1/s1

InChI Key

BZJZPFTWQPRJQQ-UHFFFAOYSA-N

Formula

C14H22O8

SMILES

CO[C@@H]1[C@@H](OC(C)=O)[C@@H](OC(C)=O)COC(OC(C)=O)[C@@H]1C

Molecular Weight¹

318.32

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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	[350.30; 817.44]	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			6.22400e+01
Coefficient B			1.10980e+00
Coefficient C			-1.42100e-04
Coefficient D			-2.12500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	350.30	J/mol×K	273.00	Calculated Property
Cp,gas	427.67	J/mol×K	353.78	Calculated Property
Cp,gas	500.24	J/mol×K	434.56	Calculated Property
Cp,gas	567.34	J/mol×K	515.33	Calculated Property
Cp,gas	628.30	J/mol×K	596.11	Calculated Property
Cp,gas	682.44	J/mol×K	676.89	Calculated Property
Cp,gas	729.10	J/mol×K	757.67	Calculated Property
Cp,gas	767.60	J/mol×K	838.44	Calculated Property
Cp,gas	797.27	J/mol×K	919.22	Calculated Property
Cp,gas	817.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011883; 0.0001154]	Pa×s	[410.23; 665.54]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.28139e+01
Coefficient B			2.49368e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			410.23
Temperature range, max.			665.54
η	0.0011883	Pa×s	410.23	Calculated Property
η	0.0008020	Pa×s	438.60	Calculated Property
η	0.0005678	Pa×s	466.97	Calculated Property
η	0.0004182	Pa×s	495.33	Calculated Property
η	0.0003184	Pa×s	523.70	Calculated Property
η	0.0002493	Pa×s	552.07	Calculated Property
η	0.0001999	Pa×s	580.44	Calculated Property
η	0.0001636	Pa×s	608.81	Calculated Property
η	0.0001363	Pa×s	637.18	Calculated Property
η	0.0001154	Pa×s	665.54	Calculated Property

Similar Compounds

Find more compounds similar to 2,4,6-Tri-O-acetyl-1,5-Anhydro-3-O-methyl-D-mannitol.

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

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