Chemical Properties of 6-Benzoylhexanoic acid (CAS 7472-43-7)

InChI

InChI=1S/C13H16O3/c14-12(11-7-3-1-4-8-11)9-5-2-6-10-13(15)16/h1,3-4,7-8H,2,5-6,9-10H2,(H,15,16)

InChI Key

DOQWHEUDAHLEPT-UHFFFAOYSA-N

Formula

C13H16O3

SMILES

O=C(O)CCCCCC(=O)c1ccccc1

Molecular Weight¹

220.26

CAS

7472-43-7

Other Names

• Benzeneheptanoic acid, «zeta»-oxo-

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[238.55; 571.29]	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			-3.08750e+01
Coefficient B			1.18270e+00
Coefficient C			-7.68500e-04
Coefficient D			1.87960e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	238.55	J/mol×K	273.00	Calculated Property
Cp,gas	299.68	J/mol×K	353.78	Calculated Property
Cp,gas	353.38	J/mol×K	434.56	Calculated Property
Cp,gas	400.24	J/mol×K	515.33	Calculated Property
Cp,gas	440.88	J/mol×K	596.11	Calculated Property
Cp,gas	475.86	J/mol×K	676.89	Calculated Property
Cp,gas	505.81	J/mol×K	757.67	Calculated Property
Cp,gas	531.29	J/mol×K	838.44	Calculated Property
Cp,gas	552.92	J/mol×K	919.22	Calculated Property
Cp,gas	571.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010388; 0.0002255]	Pa×s	[473.22; 657.09]	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			-1.23282e+01
Coefficient B			2.58307e+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.			473.22
Temperature range, max.			657.09
η	0.0010388	Pa×s	473.22	Calculated Property
η	0.0008288	Pa×s	493.65	Calculated Property
η	0.0006732	Pa×s	514.08	Calculated Property
η	0.0005555	Pa×s	534.51	Calculated Property
η	0.0004650	Pa×s	554.94	Calculated Property
η	0.0003942	Pa×s	575.37	Calculated Property
η	0.0003379	Pa×s	595.80	Calculated Property
η	0.0002927	Pa×s	616.23	Calculated Property
η	0.0002558	Pa×s	636.66	Calculated Property
η	0.0002255	Pa×s	657.09	Calculated Property

Similar Compounds

Find more compounds similar to 6-Benzoylhexanoic acid.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.