Chemical Properties of 1,2-Anhydro-3,4,5,6-alloinositol (CAS 23559-36-6)

InChI

InChI=1S/C6H10O5/c7-1-2(8)4(10)6-5(11-6)3(1)9/h1-10H

InChI Key

ZHMWOVGZCINIHW-UHFFFAOYSA-N

Formula

C6H10O5

SMILES

OC1C(O)C(O)C2OC2C1O

Molecular Weight¹

162.14

CAS

23559-36-6

Other Names

• α-Epoxyconduritol-e

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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 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	[157.41; 410.97]	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			-4.59300e+01
Coefficient B			8.93000e-01
Coefficient C			-5.82700e-04
Coefficient D			1.46600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	157.41	J/mol×K	273.00	Calculated Property
Cp,gas	203.55	J/mol×K	353.78	Calculated Property
Cp,gas	244.12	J/mol×K	434.56	Calculated Property
Cp,gas	279.58	J/mol×K	515.33	Calculated Property
Cp,gas	310.39	J/mol×K	596.11	Calculated Property
Cp,gas	337.02	J/mol×K	676.89	Calculated Property
Cp,gas	359.93	J/mol×K	757.67	Calculated Property
Cp,gas	379.58	J/mol×K	838.44	Calculated Property
Cp,gas	396.44	J/mol×K	919.22	Calculated Property
Cp,gas	410.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0028926; 0.0000422]	Pa×s	[442.63; 635.26]	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			-1.97885e+01
Coefficient B			6.17156e+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.			442.63
Temperature range, max.			635.26
η	0.0028926	Pa×s	442.63	Calculated Property
η	0.0015205	Pa×s	464.03	Calculated Property
η	0.0008459	Pa×s	485.44	Calculated Property
η	0.0004945	Pa×s	506.84	Calculated Property
η	0.0003019	Pa×s	528.24	Calculated Property
η	0.0001916	Pa×s	549.65	Calculated Property
η	0.0001258	Pa×s	571.05	Calculated Property
η	0.0000851	Pa×s	592.46	Calculated Property
η	0.0000592	Pa×s	613.86	Calculated Property
η	0.0000422	Pa×s	635.26	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Anhydro-3,4,5,6-alloinositol.

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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