Chemical Properties of Pentaerythrityl triacrylate (CAS 3524-68-3)

InChI

InChI=1S/C14H18O7/c1-4-11(16)19-8-14(7-15,9-20-12(17)5-2)10-21-13(18)6-3/h4-6,15H,1-3,7-10H2

InChI Key

HVVWZTWDBSEWIH-UHFFFAOYSA-N

Formula

C14H18O7

SMILES

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

Molecular Weight¹

298.29

CAS

3524-68-3

Other Names

• 2-Propenoic acid, 2-(hydroxymethyl)-2-[[(1-oxo-2-propenyl)oxy]methyl]-1,3-propanediyl ester
• Acrylic acid, triester with pentaerythritol
• Pentaerythritol triacrylate
• PETIA
• SR 444
• Tetramethylolmethane triacrylate
• Pentaerithritol triacrylate
• Acrylic acid, pentaerithritol triester
• PETA
• Propenoic acid 2-(hydroxymethyl)-2-[[(1-oxo-2-propenyl)oxy]methyl]-1,3-propanediyl ester
• 2-Propenoic acid, 1,1'-[2-(hydroxymethyl)-2-[[(1-oxo-2-propen-1-yl)oxy]methyl]-1,3-propanediyl] ester
• Aronix M 305
• Gafgard 233
• Kayarad PET 30
• Light Acrylate PE 3A
• NK Ester TMM 50T
• P 300 (acrylate)
• Sartomer SR 444
• Setalux UV 2242
• SR 444C
• 2-(hydroxymethyl)-2-[[(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	0.9889		Relay (1.0) Calculated Property
ΔfH°gas	-1088.94	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.96	kJ/mol	Joback Calculated Property
ΔvapH°	96.80	kJ/mol	Relay (1.0) Calculated Property
IE	10.02	eV	Relay (1.0) Calculated Property
log10WS	-1.84		Relay (1.0) Calculated Property
logPoct/wat	0.153		Crippen Calculated Property
McVol	223.410	ml/mol	McGowan Calculated Property
Pc	1874.03	kPa	Joback Calculated Property
Inp	[1970.00; 1970.00]
Inp	1970.00		NIST
Inp	1970.00		NIST
Inp	1970.00		NIST
Tboil	623.68	K	Relay (1.0) Calculated Property
Tc	797.70	K	Relay (1.0) Calculated Property
Tfus	413.92	K	Relay (1.0) Calculated Property
Vc	0.760	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	[333.10; 700.53]	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			3.82340e+01
Coefficient B			1.26920e+00
Coefficient C			-7.24900e-04
Coefficient D			1.18000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	333.10	J/mol×K	273.00	Calculated Property
Cp,gas	401.75	J/mol×K	353.78	Calculated Property
Cp,gas	462.57	J/mol×K	434.56	Calculated Property
Cp,gas	515.93	J/mol×K	515.33	Calculated Property
Cp,gas	562.22	J/mol×K	596.11	Calculated Property
Cp,gas	601.80	J/mol×K	676.89	Calculated Property
Cp,gas	635.05	J/mol×K	757.67	Calculated Property
Cp,gas	662.34	J/mol×K	838.44	Calculated Property
Cp,gas	684.04	J/mol×K	919.22	Calculated Property
Cp,gas	700.53	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011808; 0.0000273]	Pa×s	[432.49; 672.77]	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			-1.72909e+01
Coefficient B			4.56249e+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.			432.49
Temperature range, max.			672.77
η	0.0011808	Pa×s	432.49	Calculated Property
η	0.0006394	Pa×s	459.19	Calculated Property
η	0.0003704	Pa×s	485.89	Calculated Property
η	0.0002271	Pa×s	512.58	Calculated Property
η	0.0001462	Pa×s	539.28	Calculated Property
η	0.0000981	Pa×s	565.98	Calculated Property
η	0.0000682	Pa×s	592.68	Calculated Property
η	0.0000490	Pa×s	619.37	Calculated Property
η	0.0000361	Pa×s	646.07	Calculated Property
η	0.0000273	Pa×s	672.77	Calculated Property

Similar Compounds

Find more compounds similar to Pentaerythrityl triacrylate.

Sources

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

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