Chemical Properties of 2-deoxyribitol, acetylated

InChI

InChI=1S/C13H20O8/c1-8(14)18-6-5-12(20-10(3)16)13(21-11(4)17)7-19-9(2)15/h12-13H,5-7H2,1-4H3/t12-,13+/m1/s1

InChI Key

PSLLPAIVUVLGNH-UHFFFAOYSA-N

Formula

C13H20O8

SMILES

CC(=O)OCC[C@@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O

Molecular Weight¹

304.29

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : 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).
• IE : Ionization energy (eV).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[345.98; 723.52]	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			8.93430e+01
Coefficient B			1.03148e+00
Coefficient C			-3.11400e-04
Coefficient D			-8.59000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	345.98	J/mol×K	273.00	Calculated Property
Cp,gas	411.48	J/mol×K	353.78	Calculated Property
Cp,gas	471.73	J/mol×K	434.56	Calculated Property
Cp,gas	526.45	J/mol×K	515.33	Calculated Property
Cp,gas	575.37	J/mol×K	596.11	Calculated Property
Cp,gas	618.22	J/mol×K	676.89	Calculated Property
Cp,gas	654.74	J/mol×K	757.67	Calculated Property
Cp,gas	684.64	J/mol×K	838.44	Calculated Property
Cp,gas	707.66	J/mol×K	919.22	Calculated Property
Cp,gas	723.52	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0024553; 0.0000746]	Pa×s	[375.59; 641.11]	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			-1.44470e+01
Coefficient B			3.16904e+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.			375.59
Temperature range, max.			641.11
η	0.0024553	Pa×s	375.59	Calculated Property
η	0.0013281	Pa×s	405.09	Calculated Property
η	0.0007809	Pa×s	434.59	Calculated Property
η	0.0004912	Pa×s	464.10	Calculated Property
η	0.0003266	Pa×s	493.60	Calculated Property
η	0.0002274	Pa×s	523.10	Calculated Property
η	0.0001646	Pa×s	552.60	Calculated Property
η	0.0001231	Pa×s	582.10	Calculated Property
η	0.0000946	Pa×s	611.60	Calculated Property
η	0.0000746	Pa×s	641.11	Calculated Property

Similar Compounds

Find more compounds similar to 2-deoxyribitol, acetylated.

Sources

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

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