Chemical Properties of O-(carboxymethoxy) benzoic acid (CAS 635-53-0)

InChI

InChI=1S/C9H8O5/c10-8(11)5-14-7-4-2-1-3-6(7)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)

InChI Key

JLLXSRLEXBECPY-UHFFFAOYSA-N

Formula

C9H8O5

SMILES

O=C(O)COc1ccccc1C(=O)O

Molecular Weight¹

196.16

CAS

635-53-0

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[184.35; 402.14]	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			9.80100e+00
Coefficient B			7.58800e-01
Coefficient C			-4.64160e-04
Coefficient D			9.77000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	184.35	J/mol×K	273.00	Calculated Property
Cp,gas	224.48	J/mol×K	353.78	Calculated Property
Cp,gas	259.91	J/mol×K	434.56	Calculated Property
Cp,gas	290.94	J/mol×K	515.33	Calculated Property
Cp,gas	317.89	J/mol×K	596.11	Calculated Property
Cp,gas	341.06	J/mol×K	676.89	Calculated Property
Cp,gas	360.76	J/mol×K	757.67	Calculated Property
Cp,gas	377.30	J/mol×K	838.44	Calculated Property
Cp,gas	390.99	J/mol×K	919.22	Calculated Property
Cp,gas	402.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004238; 0.0001896]	Pa×s	[573.56; 686.67]	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			-1.26481e+01
Coefficient B			2.80001e+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.			573.56
Temperature range, max.			686.67
η	0.0004238	Pa×s	573.56	Calculated Property
η	0.0003817	Pa×s	586.13	Calculated Property
η	0.0003453	Pa×s	598.70	Calculated Property
η	0.0003136	Pa×s	611.26	Calculated Property
η	0.0002860	Pa×s	623.83	Calculated Property
η	0.0002617	Pa×s	636.40	Calculated Property
η	0.0002403	Pa×s	648.97	Calculated Property
η	0.0002214	Pa×s	661.54	Calculated Property
η	0.0002046	Pa×s	674.11	Calculated Property
η	0.0001896	Pa×s	686.67	Calculated Property

Similar Compounds

Find more compounds similar to O-(carboxymethoxy) benzoic acid.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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