Chemical Properties of Pinitol

InChI

InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4-,5-,6+,7-/m0/s1

InChI Key

DSCFFEYYQKSRSV-FQGZZYRYSA-N

Formula

C7H14O6

SMILES

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

Molecular Weight¹

194.18

Other Names

• D-pinitol

• 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	[474.03; 514.96]	J/mol×K	[839.28; 1027.59]
Cp,gas	474.03	J/mol×K	839.28	Joback Calculated Property
Cp,gas	482.73	J/mol×K	870.67	Joback Calculated Property
Cp,gas	490.69	J/mol×K	902.05	Joback Calculated Property
Cp,gas	497.90	J/mol×K	933.44	Joback Calculated Property
Cp,gas	504.36	J/mol×K	964.82	Joback Calculated Property
Cp,gas	510.05	J/mol×K	996.21	Joback Calculated Property
Cp,gas	514.96	J/mol×K	1027.59	Joback Calculated Property
η	[0.0000002; 0.0003372]	Pa×s	[481.16; 839.28]
η	0.0003372	Pa×s	481.16	Joback Calculated Property
η	0.0000472	Pa×s	540.85	Joback Calculated Property
η	0.0000098	Pa×s	600.53	Joback Calculated Property
η	0.0000027	Pa×s	660.22	Joback Calculated Property
η	0.0000009	Pa×s	719.91	Joback Calculated Property
η	0.0000004	Pa×s	779.59	Joback Calculated Property
η	0.0000002	Pa×s	839.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pinitol.

Mixtures

• Carbon dioxide + Pinitol

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
• D-Pinitol Solubility in Supercritical CO2: Experimental Data and Correlation
• 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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