Chemical Properties of Pentaerythritol tetraacetate (CAS 597-71-7)

InChI

InChI=1S/C13H20O8/c1-9(14)18-5-13(6-19-10(2)15,7-20-11(3)16)8-21-12(4)17/h5-8H2,1-4H3

InChI Key

OUHCZCFQVONTOC-UHFFFAOYSA-N

Formula

C13H20O8

SMILES

CC(=O)OCC(COC(C)=O)(COC(C)=O)COC(C)=O

Molecular Weight¹

304.29

CAS

597-71-7

Other Names

• 1,3-Propanediol, 2,2-bis[(acetyloxy)methyl]-, 1,3-diacetate
• 1,3-Propanediol, 2,2-bis[(acetyloxy)methyl]-, diacetate
• 2,2-Bis((acetyloxy)methyl)-1,3-propanediol diacetate
• NSC 1841
• Normo-level
• Normosterol
• PAG
• Pentaerythritole tetraacetate
• Pentaerythrityl tetraacetate
• Pentaerythrityl tetracetate
• T. A. P. E.
• TAPE
• Tetraacetil pentoetriol
• Tetraacetyl pentestriol
• [3-acetyloxy-2,2-bis(acetyloxymethyl)propyl] acetate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[345.15; 723.91]	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			6.82340e+01
Coefficient B			1.14548e+00
Coefficient C			-4.76800e-04
Coefficient D			-1.30000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	345.15	J/mol×K	273.00	Calculated Property
Cp,gas	413.23	J/mol×K	353.78	Calculated Property
Cp,gas	474.90	J/mol×K	434.56	Calculated Property
Cp,gas	530.14	J/mol×K	515.33	Calculated Property
Cp,gas	578.88	J/mol×K	596.11	Calculated Property
Cp,gas	621.11	J/mol×K	676.89	Calculated Property
Cp,gas	656.76	J/mol×K	757.67	Calculated Property
Cp,gas	685.81	J/mol×K	838.44	Calculated Property
Cp,gas	708.21	J/mol×K	919.22	Calculated Property
Cp,gas	723.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0046771; 0.0000741]	Pa×s	[356.65; 640.75]	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			-1.47130e+01
Coefficient B			3.33394e+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.			356.65
Temperature range, max.			640.75
η	0.0046771	Pa×s	356.65	Calculated Property
η	0.0021871	Pa×s	388.22	Calculated Property
η	0.0011466	Pa×s	419.78	Calculated Property
η	0.0006579	Pa×s	451.35	Calculated Property
η	0.0004060	Pa×s	482.92	Calculated Property
η	0.0002658	Pa×s	514.48	Calculated Property
η	0.0001827	Pa×s	546.05	Calculated Property
η	0.0001309	Pa×s	577.62	Calculated Property
η	0.0000971	Pa×s	609.19	Calculated Property
η	0.0000741	Pa×s	640.75	Calculated Property

Similar Compounds

Find more compounds similar to Pentaerythritol tetraacetate.

Sources

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

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