Chemical Properties of 2,3,4-Trimethyllevoglucosan (CAS 2951-86-2)

InChI

InChI=1S/C9H16O5/c1-10-6-5-4-13-9(14-5)8(12-3)7(6)11-2/h5-9H,4H2,1-3H3

InChI Key

ZZSLTIGBKYUBSG-UHFFFAOYSA-N

Formula

C9H16O5

SMILES

COC1C2COC(O2)C(OC)C1OC

Molecular Weight¹

204.22

CAS

2951-86-2

Other Names

• 1,6-Anhydro-«beta»-D-glucose, trimethyl ether

• 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[389.45; 482.48]	J/mol×K	[534.69; 735.19]
Cp,gas	389.45	J/mol×K	534.69	Joback Calculated Property
Cp,gas	406.88	J/mol×K	568.11	Joback Calculated Property
Cp,gas	423.55	J/mol×K	601.52	Joback Calculated Property
Cp,gas	439.45	J/mol×K	634.94	Joback Calculated Property
Cp,gas	454.58	J/mol×K	668.35	Joback Calculated Property
Cp,gas	468.92	J/mol×K	701.77	Joback Calculated Property
Cp,gas	482.48	J/mol×K	735.19	Joback Calculated Property
η	[0.0005706; 0.0012049]	Pa×s	[327.14; 534.69]
η	0.0012049	Pa×s	327.14	Joback Calculated Property
η	0.0010023	Pa×s	361.73	Joback Calculated Property
η	0.0008609	Pa×s	396.32	Joback Calculated Property
η	0.0007578	Pa×s	430.92	Joback Calculated Property
η	0.0006798	Pa×s	465.51	Joback Calculated Property
η	0.0006191	Pa×s	500.10	Joback Calculated Property
η	0.0005706	Pa×s	534.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,3,4-Trimethyllevoglucosan.

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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