Chemical Properties of 2-[(2-Chloropropanoyl)oxy]benzoic acid (CAS 55162-40-8)

InChI

InChI=1S/C10H9ClO4/c1-6(11)10(14)15-8-5-3-2-4-7(8)9(12)13/h2-6H,1H3,(H,12,13)

InChI Key

RPYJPJMBMJMCRR-UHFFFAOYSA-N

Formula

C10H9ClO4

SMILES

CC(Cl)C(=O)Oc1ccccc1C(=O)O

Molecular Weight¹

228.63

CAS

55162-40-8

• 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	[205.96; 441.37]	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			1.54100e+01
Coefficient B			8.24120e-01
Coefficient C			-4.85960e-04
Coefficient D			8.78000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	205.96	J/mol×K	273.00	Calculated Property
Cp,gas	250.03	J/mol×K	353.78	Calculated Property
Cp,gas	288.97	J/mol×K	434.56	Calculated Property
Cp,gas	323.07	J/mol×K	515.33	Calculated Property
Cp,gas	352.59	J/mol×K	596.11	Calculated Property
Cp,gas	377.82	J/mol×K	676.89	Calculated Property
Cp,gas	399.04	J/mol×K	757.67	Calculated Property
Cp,gas	416.52	J/mol×K	838.44	Calculated Property
Cp,gas	430.53	J/mol×K	919.22	Calculated Property
Cp,gas	441.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009320; 0.0001750]	Pa×s	[459.25; 651.59]	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			-1.26439e+01
Coefficient B			2.60200e+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.			459.25
Temperature range, max.			651.59
η	0.0009320	Pa×s	459.25	Calculated Property
η	0.0007245	Pa×s	480.62	Calculated Property
η	0.0005753	Pa×s	501.99	Calculated Property
η	0.0004656	Pa×s	523.36	Calculated Property
η	0.0003831	Pa×s	544.73	Calculated Property
η	0.0003199	Pa×s	566.10	Calculated Property
η	0.0002706	Pa×s	587.47	Calculated Property
η	0.0002317	Pa×s	608.85	Calculated Property
η	0.0002004	Pa×s	630.22	Calculated Property
η	0.0001750	Pa×s	651.59	Calculated Property

Similar Compounds

Find more compounds similar to 2-[(2-Chloropropanoyl)oxy]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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