Chemical Properties of Pentaerythritol tetraacrylate (CAS 4986-89-4)

InChI

InChI=1S/C17H20O8/c1-5-13(18)22-9-17(10-23-14(19)6-2,11-24-15(20)7-3)12-25-16(21)8-4/h5-8H,1-4,9-12H2

InChI Key

KNSXNCFKSZZHEA-UHFFFAOYSA-N

Formula

C17H20O8

SMILES

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

Molecular Weight¹

352.34

CAS

4986-89-4

Other Names

• 2,2-bis[[(1-oxoallyl)oxy]methyl]-1,3-propanediyl diacrylate

• 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

Property	Value	Unit	Source
ω	0.9676		Relay (1.0) Calculated Property
ΔfH°gas	-1209.68	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.73	kJ/mol	Joback Calculated Property
ΔvapH°	92.61	kJ/mol	Relay (1.0) Calculated Property
IE	10.13	eV	Relay (1.0) Calculated Property
log10WS	-2.90		Relay (1.0) Calculated Property
logPoct/wat	0.890		Crippen Calculated Property
McVol	262.950	ml/mol	McGowan Calculated Property
Pc	1431.55	kPa	Joback Calculated Property
Inp	[2111.00; 2111.00]
Inp	2111.00		NIST
Inp	2111.00		NIST
Inp	2111.00		NIST
Tboil	632.61	K	Relay (1.0) Calculated Property
Tc	795.39	K	Relay (1.0) Calculated Property
Tfus	367.10	K	Relay (1.0) Calculated Property
Vc	0.898	m3/kmol	Relay (1.0) Calculated Property

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[761.16; 816.34]	J/mol×K	[804.93; 1000.55]
Cp,gas	761.16	J/mol×K	804.93	Joback Calculated Property
Cp,gas	773.07	J/mol×K	837.53	Joback Calculated Property
Cp,gas	783.87	J/mol×K	870.14	Joback Calculated Property
Cp,gas	793.57	J/mol×K	902.74	Joback Calculated Property
Cp,gas	802.20	J/mol×K	935.35	Joback Calculated Property
Cp,gas	809.78	J/mol×K	967.95	Joback Calculated Property
Cp,gas	816.34	J/mol×K	1000.55	Joback Calculated Property
η	[0.0000268; 0.0008418]	Pa×s	[446.05; 804.93]
η	0.0008418	Pa×s	446.05	Joback Calculated Property
η	0.0003373	Pa×s	505.86	Joback Calculated Property
η	0.0001640	Pa×s	565.68	Joback Calculated Property
η	0.0000915	Pa×s	625.49	Joback Calculated Property
η	0.0000566	Pa×s	685.30	Joback Calculated Property
η	0.0000378	Pa×s	745.12	Joback Calculated Property
η	0.0000268	Pa×s	804.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentaerythritol tetraacrylate.

Sources

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

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