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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[390.77; 816.23]	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			5.26340e+01
Coefficient B			1.44540e+00
Coefficient C			-7.86000e-04
Coefficient D			1.04200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	390.77	J/mol×K	273.00	Calculated Property
Cp,gas	470.22	J/mol×K	353.78	Calculated Property
Cp,gas	540.86	J/mol×K	434.56	Calculated Property
Cp,gas	603.02	J/mol×K	515.33	Calculated Property
Cp,gas	657.02	J/mol×K	596.11	Calculated Property
Cp,gas	703.20	J/mol×K	676.89	Calculated Property
Cp,gas	741.88	J/mol×K	757.67	Calculated Property
Cp,gas	773.39	J/mol×K	838.44	Calculated Property
Cp,gas	798.07	J/mol×K	919.22	Calculated Property
Cp,gas	816.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008418; 0.0000507]	Pa×s	[446.05; 700.39]	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			-1.48144e+01
Coefficient B			3.44994e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			446.05
Temperature range, max.			700.39
η	0.0008418	Pa×s	446.05	Calculated Property
η	0.0005310	Pa×s	474.31	Calculated Property
η	0.0003527	Pa×s	502.57	Calculated Property
η	0.0002448	Pa×s	530.83	Calculated Property
η	0.0001762	Pa×s	559.09	Calculated Property
η	0.0001310	Pa×s	587.35	Calculated Property
η	0.0001000	Pa×s	615.61	Calculated Property
η	0.0000782	Pa×s	643.87	Calculated Property
η	0.0000624	Pa×s	672.13	Calculated Property
η	0.0000507	Pa×s	700.39	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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