Chemical Properties of .alpha.-Benzylsuccinic acid

InChI

InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)

InChI Key

GTOFKXZQQDSVFH-UHFFFAOYSA-N

Formula

C11H12O4

SMILES

O=C(O)CC(Cc1ccccc1)C(=O)O

Molecular Weight¹

208.21

Other Names

• Benzenebutanoic acid, «beta»-carboxy-

• 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).
• 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

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	[208.51; 490.40]	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			-3.34980e+01
Coefficient B			1.07740e+00
Coefficient C			-7.54200e-04
Coefficient D			2.00700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	208.51	J/mol×K	273.00	Calculated Property
Cp,gas	262.15	J/mol×K	353.78	Calculated Property
Cp,gas	308.74	J/mol×K	434.56	Calculated Property
Cp,gas	348.90	J/mol×K	515.33	Calculated Property
Cp,gas	383.26	J/mol×K	596.11	Calculated Property
Cp,gas	412.47	J/mol×K	676.89	Calculated Property
Cp,gas	437.15	J/mol×K	757.67	Calculated Property
Cp,gas	457.94	J/mol×K	838.44	Calculated Property
Cp,gas	475.48	J/mol×K	919.22	Calculated Property
Cp,gas	490.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005996; 0.0001851]	Pa×s	[546.35; 698.07]	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			-1.28284e+01
Coefficient B			2.95532e+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.			546.35
Temperature range, max.			698.07
η	0.0005996	Pa×s	546.35	Calculated Property
η	0.0005100	Pa×s	563.21	Calculated Property
η	0.0004379	Pa×s	580.07	Calculated Property
η	0.0003792	Pa×s	596.92	Calculated Property
η	0.0003310	Pa×s	613.78	Calculated Property
η	0.0002910	Pa×s	630.64	Calculated Property
η	0.0002576	Pa×s	647.50	Calculated Property
η	0.0002294	Pa×s	664.35	Calculated Property
η	0.0002055	Pa×s	681.21	Calculated Property
η	0.0001851	Pa×s	698.07	Calculated Property

Similar Compounds

Find more compounds similar to .alpha.-Benzylsuccinic acid.

Sources

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

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