Chemical Properties of 2-(Propionyloxy)benzoic acid (CAS 6328-44-5)

InChI

InChI=1S/C10H10O4/c1-2-9(11)14-8-6-4-3-5-7(8)10(12)13/h3-6H,2H2,1H3,(H,12,13)

InChI Key

MDLKHAVFIDFTBO-UHFFFAOYSA-N

Formula

C10H10O4

SMILES

CCC(=O)Oc1ccccc1C(=O)O

Molecular Weight¹

194.18

CAS

6328-44-5

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[192.87; 432.56]	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			4.20100e+00
Coefficient B			8.11420e-01
Coefficient C			-4.62360e-04
Coefficient D			7.93000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	192.87	J/mol×K	273.00	Calculated Property
Cp,gas	236.91	J/mol×K	353.78	Calculated Property
Cp,gas	276.00	J/mol×K	434.56	Calculated Property
Cp,gas	310.42	J/mol×K	515.33	Calculated Property
Cp,gas	340.40	J/mol×K	596.11	Calculated Property
Cp,gas	366.19	J/mol×K	676.89	Calculated Property
Cp,gas	388.06	J/mol×K	757.67	Calculated Property
Cp,gas	406.24	J/mol×K	838.44	Calculated Property
Cp,gas	420.99	J/mol×K	919.22	Calculated Property
Cp,gas	432.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009175; 0.0001988]	Pa×s	[444.33; 620.58]	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			-1.23792e+01
Coefficient B			2.39286e+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.			444.33
Temperature range, max.			620.58
η	0.0009175	Pa×s	444.33	Calculated Property
η	0.0007309	Pa×s	463.91	Calculated Property
η	0.0005931	Pa×s	483.50	Calculated Property
η	0.0004892	Pa×s	503.08	Calculated Property
η	0.0004093	Pa×s	522.66	Calculated Property
η	0.0003469	Pa×s	542.25	Calculated Property
η	0.0002975	Pa×s	561.83	Calculated Property
η	0.0002577	Pa×s	581.41	Calculated Property
η	0.0002254	Pa×s	601.00	Calculated Property
η	0.0001988	Pa×s	620.58	Calculated Property

Similar Compounds

Find more compounds similar to 2-(Propionyloxy)benzoic acid.

Sources

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

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