Chemical Properties of tri-propoxylated glycerol triacrylate (Acrylic acid 2-[2,3-bis-(2-acryloyloxy-propoxy)-propoxy]-1-methyl-ethyl ester)

InChI

InChI=1S/C21H32O9/c1-7-19(22)28-15(4)10-25-13-18(27-12-17(6)30-21(24)9-3)14-26-11-16(5)29-20(23)8-2/h7-9,15-18H,1-3,10-14H2,4-6H3

InChI Key

UTPIIYCVYBQOBI-UHFFFAOYSA-N

Formula

C21H32O9

SMILES

C=CC(=O)OC(C)COCC(COCC(C)OC(=O)C=C)OCC(C)OC(=O)C=C

Molecular Weight¹

428.47

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	48.88	kJ/mol	Joback Calculated Property
log10WS	-2.29		Relay (1.0) Calculated Property
logPoct/wat	1.758		Crippen Calculated Property
McVol	333.780	ml/mol	McGowan Calculated Property
Inp	[2412.00; 2412.00]
Inp	2412.00		NIST
Inp	2412.00		NIST
Tboil	654.23	K	Relay (1.0) Calculated Property
Tfus	267.79	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[515.51; 1099.18]	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			1.20825e+02
Coefficient B			1.60846e+00
Coefficient C			-5.83300e-04
Coefficient D			-4.68000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	515.51	J/mol×K	273.00	Calculated Property
Cp,gas	614.79	J/mol×K	353.78	Calculated Property
Cp,gas	705.80	J/mol×K	434.56	Calculated Property
Cp,gas	788.41	J/mol×K	515.33	Calculated Property
Cp,gas	862.46	J/mol×K	596.11	Calculated Property
Cp,gas	927.80	J/mol×K	676.89	Calculated Property
Cp,gas	984.30	J/mol×K	757.67	Calculated Property
Cp,gas	1031.79	J/mol×K	838.44	Calculated Property
Cp,gas	1070.14	J/mol×K	919.22	Calculated Property
Cp,gas	1099.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004827; 0.0000151]	Pa×s	[454.83; 780.26]	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			-1.59448e+01
Coefficient B			3.77903e+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.			454.83
Temperature range, max.			780.26
η	0.0004827	Pa×s	454.83	Calculated Property
η	0.0002618	Pa×s	490.99	Calculated Property
η	0.0001544	Pa×s	527.15	Calculated Property
η	0.0000975	Pa×s	563.31	Calculated Property
η	0.0000650	Pa×s	599.47	Calculated Property
η	0.0000454	Pa×s	635.63	Calculated Property
η	0.0000330	Pa×s	671.79	Calculated Property
η	0.0000247	Pa×s	707.94	Calculated Property
η	0.0000191	Pa×s	744.10	Calculated Property
η	0.0000151	Pa×s	780.26	Calculated Property

Similar Compounds

Find more compounds similar to tri-propoxylated glycerol triacrylate (Acrylic acid 2-[2,3-bis-(2-acryloyloxy-propoxy)-propoxy]-1-methyl-ethyl ester).

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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