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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[643.87; 707.29]	J/mol×K	[726.69; 915.36]
Cp,gas	643.87	J/mol×K	726.69	Joback Calculated Property
Cp,gas	656.95	J/mol×K	758.14	Joback Calculated Property
Cp,gas	669.03	J/mol×K	789.58	Joback Calculated Property
Cp,gas	680.10	J/mol×K	821.03	Joback Calculated Property
Cp,gas	690.17	J/mol×K	852.47	Joback Calculated Property
Cp,gas	699.24	J/mol×K	883.92	Joback Calculated Property
Cp,gas	707.29	J/mol×K	915.36	Joback Calculated Property
η	[0.0000401; 0.0014419]	Pa×s	[408.01; 726.69]
η	0.0014419	Pa×s	408.01	Joback Calculated Property
η	0.0005626	Pa×s	461.12	Joback Calculated Property
η	0.0002666	Pa×s	514.24	Joback Calculated Property
η	0.0001453	Pa×s	567.35	Joback Calculated Property
η	0.0000879	Pa×s	620.46	Joback Calculated Property
η	0.0000575	Pa×s	673.58	Joback Calculated Property
η	0.0000401	Pa×s	726.69	Joback 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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