Chemical Properties of 4-O-acetyl-1,5-Anhydro-2,3-di-O-methyl-L-rhamnitol

InChI

InChI=1S/C10H18O5/c1-6-9(15-7(2)11)10(13-4)8(12-3)5-14-6/h6,8-10H,5H2,1-4H3/t6-,8-,9-,10-/m1/s1

InChI Key

OXXJBRPRCDPQNS-LKEDHPFLSA-N

Formula

C10H18O5

SMILES

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

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°	31.43	kJ/mol	Joback Calculated Property
logPoct/wat	0.367		Crippen Calculated Property
McVol	165.950	ml/mol	McGowan Calculated Property
Inp	[1418.65; 1418.65]
Inp	1418.65		NIST
Inp	1418.65		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	[250.80; 604.92]	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			3.97400e+01
Coefficient B			8.12280e-01
Coefficient C			-1.04500e-04
Coefficient D			-1.42600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	250.80	J/mol×K	273.00	Calculated Property
Cp,gas	307.71	J/mol×K	353.78	Calculated Property
Cp,gas	361.29	J/mol×K	434.56	Calculated Property
Cp,gas	411.07	J/mol×K	515.33	Calculated Property
Cp,gas	456.61	J/mol×K	596.11	Calculated Property
Cp,gas	497.46	J/mol×K	676.89	Calculated Property
Cp,gas	533.17	J/mol×K	757.67	Calculated Property
Cp,gas	563.28	J/mol×K	838.44	Calculated Property
Cp,gas	587.35	J/mol×K	919.22	Calculated Property
Cp,gas	604.92	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017200; 0.0002308]	Pa×s	[310.48; 532.93]	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			-1.11774e+01
Coefficient B			1.49401e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			310.48
Temperature range, max.			532.93
η	0.0017200	Pa×s	310.48	Calculated Property
η	0.0012062	Pa×s	335.20	Calculated Property
η	0.0008882	Pa×s	359.91	Calculated Property
η	0.0006802	Pa×s	384.63	Calculated Property
η	0.0005380	Pa×s	409.35	Calculated Property
η	0.0004371	Pa×s	434.06	Calculated Property
η	0.0003631	Pa×s	458.78	Calculated Property
η	0.0003074	Pa×s	483.50	Calculated Property
η	0.0002645	Pa×s	508.22	Calculated Property
η	0.0002308	Pa×s	532.93	Calculated Property

Similar Compounds

Find more compounds similar to 4-O-acetyl-1,5-Anhydro-2,3-di-O-methyl-L-rhamnitol.

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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