Chemical Properties of «beta»-Acetylacrylic acid (CAS 4743-82-2)

InChI

InChI=1S/C5H6O3/c1-4(6)2-3-5(7)8/h2-3H,1H3,(H,7,8)/b3-2+

InChI Key

XGTKSWVCNVUVHG-NSCUHMNNSA-N

Formula

C5H6O3

SMILES

CC(=O)C=CC(=O)O

Molecular Weight¹

114.10

CAS

4743-82-2

Other Names

• 4-Oxo-2-pentenoic acid
• Acetylacrylic acid
• 3-Acetylacrylic acid
• 2-Pentenoic acid, 4-oxo-
• 4-Ketopentenoic acid
• «beta»-Acetoacrylic acid
• 4-oxopent-2-en-2-oic acid

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[112.09; 246.50]	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			-3.88000e+00
Coefficient B			5.21620e-01
Coefficient C			-3.85900e-04
Coefficient D			1.14660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	112.09	J/mol×K	273.00	Calculated Property
Cp,gas	137.44	J/mol×K	353.78	Calculated Property
Cp,gas	159.33	J/mol×K	434.56	Calculated Property
Cp,gas	178.14	J/mol×K	515.33	Calculated Property
Cp,gas	194.22	J/mol×K	596.11	Calculated Property
Cp,gas	207.95	J/mol×K	676.89	Calculated Property
Cp,gas	219.68	J/mol×K	757.67	Calculated Property
Cp,gas	229.77	J/mol×K	838.44	Calculated Property
Cp,gas	238.59	J/mol×K	919.22	Calculated Property
Cp,gas	246.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014247; 0.0002982]	Pa×s	[351.56; 509.64]	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			-1.15959e+01
Coefficient B			1.77261e+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.			351.56
Temperature range, max.			509.64
η	0.0014247	Pa×s	351.56	Calculated Property
η	0.0011208	Pa×s	369.12	Calculated Property
η	0.0009011	Pa×s	386.69	Calculated Property
η	0.0007384	Pa×s	404.25	Calculated Property
η	0.0006152	Pa×s	421.82	Calculated Property
η	0.0005201	Pa×s	439.38	Calculated Property
η	0.0004453	Pa×s	456.94	Calculated Property
η	0.0003858	Pa×s	474.51	Calculated Property
η	0.0003376	Pa×s	492.07	Calculated Property
η	0.0002982	Pa×s	509.64	Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Acetylacrylic acid.

Sources

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

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