Chemical Properties of Sorbitol, 2,3,6-trimethyl, acetylated

InChI

InChI=1S/C15H26O9/c1-9(16)22-8-12(20-5)14(21-6)15(24-11(3)18)13(7-19-4)23-10(2)17/h12-15H,7-8H2,1-6H3/t12-,13+,14-,15-/m0/s1

InChI Key

ATVQUEJOBOKGCC-XGUBFFRZSA-N

Formula

C15H26O9

SMILES

COCC(OC(C)=O)C(OC(C)=O)C(OC)C(COC(C)=O)OC

Molecular Weight¹

350.36

• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	37.19	kJ/mol	Joback Calculated Property
log10WS	-0.29		Relay (1.0) Calculated Property
logPoct/wat	0.089		Crippen Calculated Property
McVol	262.140	ml/mol	McGowan Calculated Property
Pc	1411.18	kPa	Joback Calculated Property
Inp	[2250.00; 2251.00]
Inp	2251.00		NIST
Inp	2250.00		NIST
Inp	2251.00		NIST
Tboil	607.07	K	Relay (1.0) Calculated Property
Tc	762.09	K	Relay (1.0) Calculated Property
Tfus	295.52	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[417.65; 875.17]	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			1.35252e+02
Coefficient B			1.09852e+00
Coefficient C			-1.88200e-04
Coefficient D			-1.70400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	417.65	J/mol×K	273.00	Calculated Property
Cp,gas	492.78	J/mol×K	353.78	Calculated Property
Cp,gas	563.10	J/mol×K	434.56	Calculated Property
Cp,gas	628.06	J/mol×K	515.33	Calculated Property
Cp,gas	687.12	J/mol×K	596.11	Calculated Property
Cp,gas	739.75	J/mol×K	676.89	Calculated Property
Cp,gas	785.41	J/mol×K	757.67	Calculated Property
Cp,gas	823.56	J/mol×K	838.44	Calculated Property
Cp,gas	853.66	J/mol×K	919.22	Calculated Property
Cp,gas	875.17	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012607; 0.0000322]	Pa×s	[392.49; 679.28]	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			-1.53630e+01
Coefficient B			3.40955e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			392.49
Temperature range, max.			679.28
η	0.0012607	Pa×s	392.49	Calculated Property
η	0.0006566	Pa×s	424.36	Calculated Property
η	0.0003746	Pa×s	456.22	Calculated Property
η	0.0002300	Pa×s	488.09	Calculated Property
η	0.0001499	Pa×s	519.95	Calculated Property
η	0.0001026	Pa×s	551.82	Calculated Property
η	0.0000733	Pa×s	583.68	Calculated Property
η	0.0000541	Pa×s	615.55	Calculated Property
η	0.0000412	Pa×s	647.41	Calculated Property
η	0.0000322	Pa×s	679.28	Calculated Property

Similar Compounds

Find more compounds similar to Sorbitol, 2,3,6-trimethyl, acetylated.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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