Chemical Properties of L-Sorbose (CAS 87-79-6)

InChI

InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6+/m1/s1

InChI Key

BJHIKXHVCXFQLS-PYWDMBMJSA-N

Formula

C6H12O6

SMILES

O=C(CO)C(O)C(O)C(O)CO

Molecular Weight¹

180.16

CAS

87-79-6

Other Names

• Esorben
• Hex-2-ulose, L-xylo-
• L-(-)-sorbose
• L-1,3,4,5,6-pentahydroxyhexan-2-one
• L-Sorbinose
• NSC 97195
• Sorbin
• Sorbinose
• Sorbose
• Sorbose, L-
• l-Xylo-2-hexulose

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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).
• Δ_vapH° : Enthalpy of vaporization 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).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	[-2804.50; -2799.10]	kJ/mol
ΔcH°solid	-2799.10 ± 1.00	kJ/mol	NIST
ΔcH°solid	-2804.50 ± 0.40	kJ/mol	NIST
ΔfH°solid	[-1276.90; -1271.50]	kJ/mol
ΔfH°solid	-1276.90 ± 1.00	kJ/mol	NIST
ΔfH°solid	-1271.50 ± 0.50	kJ/mol	NIST
ΔfusH°	22.77	kJ/mol	Joback Calculated Property
ΔvapH°	119.13	kJ/mol	Relay (1.0) Calculated Property
log10WS	0.56		Relay (1.0) Calculated Property
logPoct/wat	-3.377		Crippen Calculated Property
McVol	126.320	ml/mol	McGowan Calculated Property
S°solid,1 bar	220.90	J/mol×K	NIST
Tboil	619.08	K	Relay (1.0) Calculated Property
Tfus	400.34	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[195.25; 412.86]	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			2.62020e+01
Coefficient B			7.33500e-01
Coefficient C			-4.45500e-04
Coefficient D			9.86600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	195.25	J/mol×K	273.00	Calculated Property
Cp,gas	234.31	J/mol×K	353.78	Calculated Property
Cp,gas	268.92	J/mol×K	434.56	Calculated Property
Cp,gas	299.39	J/mol×K	515.33	Calculated Property
Cp,gas	326.04	J/mol×K	596.11	Calculated Property
Cp,gas	349.18	J/mol×K	676.89	Calculated Property
Cp,gas	369.12	J/mol×K	757.67	Calculated Property
Cp,gas	386.17	J/mol×K	838.44	Calculated Property
Cp,gas	400.65	J/mol×K	919.22	Calculated Property
Cp,gas	412.86	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006126; 0.0000003]	Pa×s	[466.41; 728.88]	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			-2.84802e+01
Coefficient B			9.83300e+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.			466.41
Temperature range, max.			728.88
η	0.0006126	Pa×s	466.41	Calculated Property
η	0.0001771	Pa×s	495.57	Calculated Property
η	0.0000588	Pa×s	524.74	Calculated Property
η	0.0000219	Pa×s	553.90	Calculated Property
η	0.0000090	Pa×s	583.06	Calculated Property
η	0.0000040	Pa×s	612.23	Calculated Property
η	0.0000019	Pa×s	641.39	Calculated Property
η	0.0000010	Pa×s	670.55	Calculated Property
η	0.0000005	Pa×s	699.72	Calculated Property
η	0.0000003	Pa×s	728.88	Calculated Property

Similar Compounds

Find more compounds similar to L-Sorbose.

Mixtures

• L-Sorbose + Glycine + Water
• L-Sorbose + Water + Cetrimonium Bromide
• L-Sorbose + Water + Acetic acid, sodium salt, hydrate (1:1:3)
• L-Sorbose + Water + Ammonium bromide
• L-Sorbose + Water
• L-Sorbose + Water + Sodium borate
• L-Sorbose + Tetraethylammonium bromide + Water

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
• Modulation in physico-chemical characteristics of some polyhydroxy solutes in presence of L-glycine: Volumetric and NMR spectroscopic approach
• Effect of sodium acetate on the volumetric behaviour of some mono-, di-, and tri-saccharides in aqueous solutions over temperature range (288.15 to 318.15) K
• Volumetric, viscometric and 1H NMR spectroscopic studies in (polyhydroxy solute + CTAB + H2O) ternary solutions
• Densities and Viscosities of Polyhydroxy Solutes in Aqueous Tetraethylammonium Bromide Solutions at Different Temperatures
• Volumetric and Viscometric Studies on Saccharide-Disodium Tetraborate (Borax) Interactions in Aqueous Solutions
• Influence of NH4Br on Solvation Behavior of Polyhydroxy Solutes in Aqueous Solutions at Different Temperatures and Atmospheric Pressure
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.