Chemical Properties of Nonanoic acid, 4-biphenyl ester

InChI

InChI=1S/C21H26O2/c1-2-3-4-5-6-10-13-21(22)23-20-16-14-19(15-17-20)18-11-8-7-9-12-18/h7-9,11-12,14-17H,2-6,10,13H2,1H3

InChI Key

JFIOMVYHCVPMKZ-UHFFFAOYSA-N

Formula

C21H26O2

SMILES

CCCCCCCCC(=O)Oc1ccc(-c2ccccc2)cc1

Molecular Weight¹

310.43

• 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).
• I_np : Non-polar retention indices.
• 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	[355.35; 870.76]	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			-4.43030e+01
Coefficient B			1.72672e+00
Coefficient C			-1.01936e-03
Coefficient D			2.07700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	355.35	J/mol×K	273.00	Calculated Property
Cp,gas	448.19	J/mol×K	353.78	Calculated Property
Cp,gas	530.60	J/mol×K	434.56	Calculated Property
Cp,gas	603.25	J/mol×K	515.33	Calculated Property
Cp,gas	666.78	J/mol×K	596.11	Calculated Property
Cp,gas	721.86	J/mol×K	676.89	Calculated Property
Cp,gas	769.14	J/mol×K	757.67	Calculated Property
Cp,gas	809.28	J/mol×K	838.44	Calculated Property
Cp,gas	842.93	J/mol×K	919.22	Calculated Property
Cp,gas	870.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009874; 0.0000895]	Pa×s	[434.12; 708.16]	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			-1.31240e+01
Coefficient B			2.69310e+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.			434.12
Temperature range, max.			708.16
η	0.0009874	Pa×s	434.12	Calculated Property
η	0.0006575	Pa×s	464.57	Calculated Property
η	0.0004603	Pa×s	495.02	Calculated Property
η	0.0003358	Pa×s	525.47	Calculated Property
η	0.0002536	Pa×s	555.91	Calculated Property
η	0.0001972	Pa×s	586.36	Calculated Property
η	0.0001572	Pa×s	616.81	Calculated Property
η	0.0001280	Pa×s	647.26	Calculated Property
η	0.0001062	Pa×s	677.71	Calculated Property
η	0.0000895	Pa×s	708.16	Calculated Property

Similar Compounds

Find more compounds similar to Nonanoic acid, 4-biphenyl ester.

Sources

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

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