Chemical Properties of Benzoylacrylic acid (CAS 583-06-2)

InChI

InChI=1S/C10H8O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-7H,(H,12,13)/b7-6+

InChI Key

PLPDHGOODMBBGN-VOTSOKGWSA-N

Formula

C10H8O3

SMILES

O=C(O)C=CC(=O)c1ccccc1

Molecular Weight¹

176.17

CAS

583-06-2

Other Names

• 2-Butenoic acid, 4-oxo-4-phenyl-
• 3-Benzoylacrylic acid
• Acrylic acid, 3-benzoyl-
• Crotonic acid, 4-oxo-4-phenyl-
• «beta»-Benzoylacrylic acid
• 4-Oxo-4-phenyl-2-butenoic acid
• NSC 143

• 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	[160.91; 385.93]	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			-4.23300e+01
Coefficient B			9.17700e-01
Coefficient C			-6.89100e-04
Coefficient D			1.99660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	160.91	J/mol×K	273.00	Calculated Property
Cp,gas	204.93	J/mol×K	353.78	Calculated Property
Cp,gas	242.72	J/mol×K	434.56	Calculated Property
Cp,gas	274.91	J/mol×K	515.33	Calculated Property
Cp,gas	302.14	J/mol×K	596.11	Calculated Property
Cp,gas	325.04	J/mol×K	676.89	Calculated Property
Cp,gas	344.24	J/mol×K	757.67	Calculated Property
Cp,gas	360.36	J/mol×K	838.44	Calculated Property
Cp,gas	374.05	J/mol×K	919.22	Calculated Property
Cp,gas	385.93	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011156; 0.0002235]	Pa×s	[434.33; 626.42]	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			-1.20405e+01
Coefficient B			2.27683e+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.			434.33
Temperature range, max.			626.42
η	0.0011156	Pa×s	434.33	Calculated Property
η	0.0008727	Pa×s	455.67	Calculated Property
η	0.0006979	Pa×s	477.02	Calculated Property
η	0.0005688	Pa×s	498.36	Calculated Property
η	0.0004715	Pa×s	519.70	Calculated Property
η	0.0003967	Pa×s	541.05	Calculated Property
η	0.0003381	Pa×s	562.39	Calculated Property
η	0.0002916	Pa×s	583.73	Calculated Property
η	0.0002541	Pa×s	605.08	Calculated Property
η	0.0002235	Pa×s	626.42	Calculated Property

Similar Compounds

Find more compounds similar to Benzoylacrylic acid.

Sources

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

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