Chemical Properties of 1,2-Propanediol diacrylate

InChI

InChI=1S/C9H12O4/c1-4-8(10)12-6-7(3)13-9(11)5-2/h4-5,7H,1-2,6H2,3H3

InChI Key

VFZKVQVQOMDJEG-UHFFFAOYSA-N

Formula

C9H12O4

SMILES

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

Molecular Weight¹

184.19

Other Names

• 1-methyl-1,2-ethanediyl 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	0.6059		Relay (1.0) Calculated Property
ΔfH°gas	-652.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.72	kJ/mol	Joback Calculated Property
ΔvapH°	67.55	kJ/mol	Relay (1.0) Calculated Property
IE	10.27	eV	Relay (1.0) Calculated Property
log10WS	-1.62		Relay (1.0) Calculated Property
logPoct/wat	0.833		Crippen Calculated Property
McVol	143.950	ml/mol	McGowan Calculated Property
Pc	2550.76	kPa	Joback Calculated Property
Inp	[1100.00; 1100.00]
Inp	1100.00		NIST
Inp	1100.00		NIST
Tboil	476.53	K	Relay (1.0) Calculated Property
Tc	664.97	K	Relay (1.0) Calculated Property
Tfus	256.71	K	Relay (1.0) Calculated Property
Vc	0.529	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	[209.15; 443.38]	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			3.78610e+01
Coefficient B			7.15120e-01
Coefficient C			-3.25600e-04
Coefficient D			1.60000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	209.15	J/mol×K	273.00	Calculated Property
Cp,gas	250.81	J/mol×K	353.78	Calculated Property
Cp,gas	288.45	J/mol×K	434.56	Calculated Property
Cp,gas	322.11	J/mol×K	515.33	Calculated Property
Cp,gas	351.84	J/mol×K	596.11	Calculated Property
Cp,gas	377.70	J/mol×K	676.89	Calculated Property
Cp,gas	399.73	J/mol×K	757.67	Calculated Property
Cp,gas	417.99	J/mol×K	838.44	Calculated Property
Cp,gas	432.52	J/mol×K	919.22	Calculated Property
Cp,gas	443.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0064612; 0.0002126]	Pa×s	[257.33; 491.32]	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			-1.22110e+01
Coefficient B			1.84482e+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.			257.33
Temperature range, max.			491.32
η	0.0064612	Pa×s	257.33	Calculated Property
η	0.0033467	Pa×s	283.33	Calculated Property
η	0.0019362	Pa×s	309.33	Calculated Property
η	0.0012193	Pa×s	335.33	Calculated Property
η	0.0008207	Pa×s	361.32	Calculated Property
η	0.0005826	Pa×s	387.32	Calculated Property
η	0.0004318	Pa×s	413.32	Calculated Property
η	0.0003315	Pa×s	439.32	Calculated Property
η	0.0002622	Pa×s	465.32	Calculated Property
η	0.0002126	Pa×s	491.32	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Propanediol diacrylate.

Sources

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

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