Chemical Properties of 5-O-Acetyl-1,4-anhydro-2,3-di-O-methyl-L-fucitol

InChI

InChI=1S/C10H18O5/c1-6(15-7(2)11)9-10(13-4)8(12-3)5-14-9/h6,8-10H,5H2,1-4H3

InChI Key

DOZOQRIDOIDCSF-UHFFFAOYSA-N

Formula

C10H18O5

SMILES

COC1COC(C(C)OC(C)=O)C1OC

Molecular Weight¹

218.25

• 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

Property	Value	Unit	Source
ΔfusH°	28.93	kJ/mol	Joback Calculated Property
logPoct/wat	0.367		Crippen Calculated Property
McVol	165.950	ml/mol	McGowan Calculated Property
Inp	[1372.13; 1372.13]
Inp	1372.13		NIST
Inp	1372.13		NIST

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	[253.12; 597.02]	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			3.72400e+01
Coefficient B			8.54280e-01
Coefficient C			-2.09500e-04
Coefficient D			-8.50000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	253.12	J/mol×K	273.00	Calculated Property
Cp,gas	309.48	J/mol×K	353.78	Calculated Property
Cp,gas	361.94	J/mol×K	434.56	Calculated Property
Cp,gas	410.21	J/mol×K	515.33	Calculated Property
Cp,gas	454.03	J/mol×K	596.11	Calculated Property
Cp,gas	493.14	J/mol×K	676.89	Calculated Property
Cp,gas	527.26	J/mol×K	757.67	Calculated Property
Cp,gas	556.13	J/mol×K	838.44	Calculated Property
Cp,gas	579.47	J/mol×K	919.22	Calculated Property
Cp,gas	597.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022959; 0.0002502]	Pa×s	[303.24; 531.25]	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			-1.12414e+01
Coefficient B			1.56615e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			303.24
Temperature range, max.			531.25
η	0.0022959	Pa×s	303.24	Calculated Property
η	0.0015417	Pa×s	328.57	Calculated Property
η	0.0010960	Pa×s	353.91	Calculated Property
η	0.0008155	Pa×s	379.24	Calculated Property
η	0.0006297	Pa×s	404.58	Calculated Property
η	0.0005013	Pa×s	429.91	Calculated Property
η	0.0004093	Pa×s	455.24	Calculated Property
η	0.0003414	Pa×s	480.58	Calculated Property
η	0.0002900	Pa×s	505.91	Calculated Property
η	0.0002502	Pa×s	531.25	Calculated Property

Similar Compounds

Find more compounds similar to 5-O-Acetyl-1,4-anhydro-2,3-di-O-methyl-L-fucitol.

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.
These property values are available through the Cheméo API. A free account gives you an access key.