Chemical Properties of Etoglucid (CAS 1954-28-5)

InChI

InChI=1S/C12H22O6/c1(13-3-5-15-7-11-9-17-11)2-14-4-6-16-8-12-10-18-12/h11-12H,1-10H2

InChI Key

UMILHIMHKXVDGH-UHFFFAOYSA-N

Formula

C12H22O6

SMILES

C(COCCOCC1CO1)OCCOCC1CO1

Molecular Weight¹

262.30

CAS

1954-28-5

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

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[309.50; 710.94]	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			2.81380e+01
Coefficient B			1.18680e+00
Coefficient C			-5.97600e-04
Coefficient D			9.36000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	309.50	J/mol×K	273.00	Calculated Property
Cp,gas	377.35	J/mol×K	353.78	Calculated Property
Cp,gas	438.70	J/mol×K	434.56	Calculated Property
Cp,gas	493.84	J/mol×K	515.33	Calculated Property
Cp,gas	543.07	J/mol×K	596.11	Calculated Property
Cp,gas	586.69	J/mol×K	676.89	Calculated Property
Cp,gas	624.99	J/mol×K	757.67	Calculated Property
Cp,gas	658.27	J/mol×K	838.44	Calculated Property
Cp,gas	686.82	J/mol×K	919.22	Calculated Property
Cp,gas	710.94	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0102940; 0.0006150]	Pa×s	[260.15; 568.84]	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			-9.76850e+00
Coefficient B			1.35078e+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.			260.15
Temperature range, max.			568.84
η	0.0102940	Pa×s	260.15	Calculated Property
η	0.0056223	Pa×s	294.45	Calculated Property
η	0.0034838	Pa×s	328.75	Calculated Property
η	0.0023630	Pa×s	363.05	Calculated Property
η	0.0017139	Pa×s	397.34	Calculated Property
η	0.0013082	Pa×s	431.64	Calculated Property
η	0.0010390	Pa×s	465.94	Calculated Property
η	0.0008517	Pa×s	500.24	Calculated Property
η	0.0007162	Pa×s	534.54	Calculated Property
η	0.0006150	Pa×s	568.84	Calculated Property

Similar Compounds

Find more compounds similar to Etoglucid.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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

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