Chemical Properties of (S)-(-)-1,2,4-Butanetriol, 2,4-di(acetate)

InChI

InChI=1S/C8H14O5/c1-6(10)12-4-3-8(5-9)13-7(2)11/h8-9H,3-5H2,1-2H3

InChI Key

WJPWFMOVDNJVNE-UHFFFAOYSA-N

Formula

C8H14O5

SMILES

CC(=O)OCCC(CO)OC(C)=O

Molecular Weight¹

190.19

• 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	[220.05; 467.48]	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			5.00430e+01
Coefficient B			6.94140e-01
Coefficient C			-2.55800e-04
Coefficient D			-2.09000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	220.05	J/mol×K	273.00	Calculated Property
Cp,gas	262.67	J/mol×K	353.78	Calculated Property
Cp,gas	301.67	J/mol×K	434.56	Calculated Property
Cp,gas	336.96	J/mol×K	515.33	Calculated Property
Cp,gas	368.50	J/mol×K	596.11	Calculated Property
Cp,gas	396.21	J/mol×K	676.89	Calculated Property
Cp,gas	420.04	J/mol×K	757.67	Calculated Property
Cp,gas	439.90	J/mol×K	838.44	Calculated Property
Cp,gas	455.74	J/mol×K	919.22	Calculated Property
Cp,gas	467.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0151285; 0.0001154]	Pa×s	[310.40; 535.49]	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			-1.57910e+01
Coefficient B			3.60057e+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.			310.40
Temperature range, max.			535.49
η	0.0151285	Pa×s	310.40	Calculated Property
η	0.0063702	Pa×s	335.41	Calculated Property
η	0.0030245	Pa×s	360.42	Calculated Property
η	0.0015817	Pa×s	385.43	Calculated Property
η	0.0008952	Pa×s	410.44	Calculated Property
η	0.0005409	Pa×s	435.45	Calculated Property
η	0.0003452	Pa×s	460.46	Calculated Property
η	0.0002307	Pa×s	485.47	Calculated Property
η	0.0001604	Pa×s	510.48	Calculated Property
η	0.0001154	Pa×s	535.49	Calculated Property

Similar Compounds

Find more compounds similar to (S)-(-)-1,2,4-Butanetriol, 2,4-di(acetate).

Sources

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

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