Chemical Properties of Chiro-inositol

InChI

InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2?,3?,4?,5?,6-

InChI Key

CDAISMWEOUEBRE-LOLGQZEGSA-N

Formula

C6H12O6

SMILES

OC1C(O)C(O)C(O)C(O)C1O

Molecular Weight¹

180.16

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	33.01	kJ/mol	Joback Calculated Property
log10WS	-0.05		Relay (1.0) Calculated Property
logPoct/wat	-3.835		Crippen Calculated Property
McVol	119.760	ml/mol	McGowan Calculated Property
Inp	[2017.00; 2017.00]
Inp	2017.00		NIST
Inp	2017.00		NIST
Tfus	519.50	K	Relay (1.0) Calculated Property

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	[180.98; 459.27]	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			-6.73000e+00
Coefficient B			7.67400e-01
Coefficient C			-2.89000e-04
Coefficient D			-1.24000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	180.98	J/mol×K	273.00	Calculated Property
Cp,gas	228.04	J/mol×K	353.78	Calculated Property
Cp,gas	271.16	J/mol×K	434.56	Calculated Property
Cp,gas	310.29	J/mol×K	515.33	Calculated Property
Cp,gas	345.40	J/mol×K	596.11	Calculated Property
Cp,gas	376.46	J/mol×K	676.89	Calculated Property
Cp,gas	403.41	J/mol×K	757.67	Calculated Property
Cp,gas	426.22	J/mol×K	838.44	Calculated Property
Cp,gas	444.85	J/mol×K	919.22	Calculated Property
Cp,gas	459.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001206; 0.0000002]	Pa×s	[508.48; 760.60]	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			-2.88442e+01
Coefficient B			1.00788e+04
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			508.48
Temperature range, max.			760.60
η	0.0001206	Pa×s	508.48	Calculated Property
η	0.0000429	Pa×s	536.49	Calculated Property
η	0.0000169	Pa×s	564.51	Calculated Property
η	0.0000073	Pa×s	592.52	Calculated Property
η	0.0000034	Pa×s	620.53	Calculated Property
η	0.0000017	Pa×s	648.54	Calculated Property
η	0.0000009	Pa×s	676.56	Calculated Property
η	0.0000005	Pa×s	704.57	Calculated Property
η	0.0000003	Pa×s	732.58	Calculated Property
η	0.0000002	Pa×s	760.60	Calculated Property

Similar Compounds

Find more compounds similar to Chiro-inositol.

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.
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