Chemical Properties of Xylotriose, permethyl

InChI

InChI=1S/C23H42O13/c1-24-12-9-33-22(19(29-6)15(12)25-2)36-14-11-34-23(20(30-7)17(14)27-4)35-13-10-32-21(31-8)18(28-5)16(13)26-3/h12-23H,9-11H2,1-8H3/t12-,13-,14-,15+,16+,17+,18-,19-,20-,21-,22+,23+/m1/s1

InChI Key

IVVVORJOYSYZNI-HGKZIHKDSA-N

Formula

C23H42O13

SMILES

CO[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](OC)[C@H](OC)[C@H]3OC)[C@H](OC)[C@H]2OC)[C@H](OC)[C@H]1OC

Molecular Weight¹

526.58

• 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	[605.55; 1464.64]	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			1.45580e+02
Coefficient B			1.67576e+00
Coefficient C			1.79900e-04
Coefficient D			-5.36600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	605.55	J/mol×K	273.00	Calculated Property
Cp,gas	737.18	J/mol×K	353.78	Calculated Property
Cp,gas	863.73	J/mol×K	434.56	Calculated Property
Cp,gas	983.49	J/mol×K	515.33	Calculated Property
Cp,gas	1094.78	J/mol×K	596.11	Calculated Property
Cp,gas	1195.89	J/mol×K	676.89	Calculated Property
Cp,gas	1285.13	J/mol×K	757.67	Calculated Property
Cp,gas	1360.80	J/mol×K	838.44	Calculated Property
Cp,gas	1421.20	J/mol×K	919.22	Calculated Property
Cp,gas	1464.64	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001481; 0.0000463]	Pa×s	[634.96; 897.73]	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			-1.27886e+01
Coefficient B			2.52123e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			634.96
Temperature range, max.			897.73
η	0.0001481	Pa×s	634.96	Calculated Property
η	0.0001243	Pa×s	664.16	Calculated Property
η	0.0001060	Pa×s	693.35	Calculated Property
η	0.0000915	Pa×s	722.55	Calculated Property
η	0.0000799	Pa×s	751.75	Calculated Property
η	0.0000705	Pa×s	780.94	Calculated Property
η	0.0000627	Pa×s	810.14	Calculated Property
η	0.0000563	Pa×s	839.34	Calculated Property
η	0.0000509	Pa×s	868.53	Calculated Property
η	0.0000463	Pa×s	897.73	Calculated Property

Similar Compounds

Find more compounds similar to Xylotriose, permethyl.

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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