Chemical Properties of Benzylmalonic acid

InChI

InChI=1S/C10H10O4/c11-9(12)8(10(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)(H,13,14)

InChI Key

JAEJSNFTJMYIEF-UHFFFAOYSA-N

Formula

C10H10O4

SMILES

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

Molecular Weight¹

194.19

Other Names

• Propanedioic acid, (phenylmethyl)-
• Malonic acid, benzyl-
• Malonic acid, 2-benzyl-
• USAF XR-36
• 1,1-Ethanedicarboxylic acid, 2-phenyl-
• 2-Benzylmalonic acid
• NSC 8068

• 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	[187.29; 438.81]	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			-3.25890e+01
Coefficient B			9.82400e-01
Coefficient C			-6.99800e-04
Coefficient D			1.88800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	187.29	J/mol×K	273.00	Calculated Property
Cp,gas	235.74	J/mol×K	353.78	Calculated Property
Cp,gas	277.66	J/mol×K	434.56	Calculated Property
Cp,gas	313.67	J/mol×K	515.33	Calculated Property
Cp,gas	344.35	J/mol×K	596.11	Calculated Property
Cp,gas	370.31	J/mol×K	676.89	Calculated Property
Cp,gas	392.13	J/mol×K	757.67	Calculated Property
Cp,gas	410.43	J/mol×K	838.44	Calculated Property
Cp,gas	425.79	J/mol×K	919.22	Calculated Property
Cp,gas	438.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006413; 0.0001992]	Pa×s	[535.08; 684.82]	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			-1.26992e+01
Coefficient B			2.86116e+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.			535.08
Temperature range, max.			684.82
η	0.0006413	Pa×s	535.08	Calculated Property
η	0.0005458	Pa×s	551.72	Calculated Property
η	0.0004689	Pa×s	568.36	Calculated Property
η	0.0004064	Pa×s	584.99	Calculated Property
η	0.0003550	Pa×s	601.63	Calculated Property
η	0.0003123	Pa×s	618.27	Calculated Property
η	0.0002767	Pa×s	634.91	Calculated Property
η	0.0002466	Pa×s	651.54	Calculated Property
η	0.0002210	Pa×s	668.18	Calculated Property
η	0.0001992	Pa×s	684.82	Calculated Property

Similar Compounds

Find more compounds similar to Benzylmalonic acid.

Sources

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

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