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-KLJZZCKASA-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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[205.10; 510.69]	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			1.25700e+01
Coefficient B			7.65220e-01
Coefficient C			-2.02000e-04
Coefficient D			-6.51000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	205.10	J/mol×K	273.00	Calculated Property
Cp,gas	255.12	J/mol×K	353.78	Calculated Property
Cp,gas	301.61	J/mol×K	434.56	Calculated Property
Cp,gas	344.36	J/mol×K	515.33	Calculated Property
Cp,gas	383.16	J/mol×K	596.11	Calculated Property
Cp,gas	417.80	J/mol×K	676.89	Calculated Property
Cp,gas	448.08	J/mol×K	757.67	Calculated Property
Cp,gas	473.79	J/mol×K	838.44	Calculated Property
Cp,gas	494.73	J/mol×K	919.22	Calculated Property
Cp,gas	510.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003372; 0.0000009]	Pa×s	[481.16; 719.31]	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			-2.58172e+01
Coefficient B			8.57542e+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.			481.16
Temperature range, max.			719.31
η	0.0003372	Pa×s	481.16	Calculated Property
η	0.0001332	Pa×s	507.62	Calculated Property
η	0.0000577	Pa×s	534.08	Calculated Property
η	0.0000270	Pa×s	560.54	Calculated Property
η	0.0000136	Pa×s	587.01	Calculated Property
η	0.0000072	Pa×s	613.47	Calculated Property
η	0.0000041	Pa×s	639.93	Calculated Property
η	0.0000024	Pa×s	666.39	Calculated Property
η	0.0000015	Pa×s	692.85	Calculated Property
η	0.0000009	Pa×s	719.31	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

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