Chemical Properties of Quercitol (CAS 488-73-3)

InChI

InChI=1S/C6H12O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2-11H,1H2

InChI Key

IMPKVMRTXBRHRB-UHFFFAOYSA-N

Formula

C6H12O5

SMILES

OC1CC(O)C(O)C(O)C1O

Molecular Weight¹

164.16

CAS

488-73-3

Other Names

• d-quercitol

• 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°	27.86	kJ/mol	Joback Calculated Property
log10WS	-0.17		Aq. Solubility Prediction
logPoct/wat	-2.805		Crippen Calculated Property
McVol	113.890	ml/mol	McGowan Calculated Property
Inp	[1834.00; 1834.00]
Inp	1834.00		NIST
Inp	1834.00		NIST
Tfus	467.07	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	[166.21; 433.94]	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			-1.79600e+01
Coefficient B			7.59900e-01
Coefficient C			-3.14000e-04
Coefficient D			6.00000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	166.21	J/mol×K	273.00	Calculated Property
Cp,gas	211.84	J/mol×K	353.78	Calculated Property
Cp,gas	253.46	J/mol×K	434.56	Calculated Property
Cp,gas	291.07	J/mol×K	515.33	Calculated Property
Cp,gas	324.72	J/mol×K	596.11	Calculated Property
Cp,gas	354.40	J/mol×K	676.89	Calculated Property
Cp,gas	380.15	J/mol×K	757.67	Calculated Property
Cp,gas	401.97	J/mol×K	838.44	Calculated Property
Cp,gas	419.90	J/mol×K	919.22	Calculated Property
Cp,gas	433.94	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010248; 0.0000015]	Pa×s	[451.90; 685.85]	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			-2.59292e+01
Coefficient B			8.60686e+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.			451.90
Temperature range, max.			685.85
η	0.0010248	Pa×s	451.90	Calculated Property
η	0.0003637	Pa×s	477.89	Calculated Property
η	0.0001436	Pa×s	503.89	Calculated Property
η	0.0000621	Pa×s	529.88	Calculated Property
η	0.0000291	Pa×s	555.88	Calculated Property
η	0.0000146	Pa×s	581.87	Calculated Property
η	0.0000077	Pa×s	607.87	Calculated Property
η	0.0000043	Pa×s	633.86	Calculated Property
η	0.0000025	Pa×s	659.86	Calculated Property
η	0.0000015	Pa×s	685.85	Calculated Property

Similar Compounds

Find more compounds similar to Quercitol.

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
• Joback Method
• Aqueous Solubility Prediction 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.
These property values are available through the Cheméo API. A free account gives you an access key.