Chemical Properties of 2-Methylpentanoic acid, 2-biphenyl ester

InChI

InChI=1S/C18H20O2/c1-3-9-14(2)18(19)20-17-13-8-7-12-16(17)15-10-5-4-6-11-15/h4-8,10-14H,3,9H2,1-2H3

InChI Key

BHZVELAKMDGMRN-UHFFFAOYSA-N

Formula

C18H20O2

SMILES

CCCC(C)C(=O)Oc1ccccc1-c1ccccc1

Molecular Weight¹

268.36

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point 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 Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[291.39; 716.52]	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			-4.32580e+01
Coefficient B			1.44764e+00
Coefficient C			-8.59360e-04
Coefficient D			1.71500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	291.39	J/mol×K	273.00	Calculated Property
Cp,gas	368.92	J/mol×K	353.78	Calculated Property
Cp,gas	437.62	J/mol×K	434.56	Calculated Property
Cp,gas	498.01	J/mol×K	515.33	Calculated Property
Cp,gas	550.65	J/mol×K	596.11	Calculated Property
Cp,gas	596.08	J/mol×K	676.89	Calculated Property
Cp,gas	634.84	J/mol×K	757.67	Calculated Property
Cp,gas	667.47	J/mol×K	838.44	Calculated Property
Cp,gas	694.52	J/mol×K	919.22	Calculated Property
Cp,gas	716.52	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015770; 0.0001066]	Pa×s	[385.31; 668.85]	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			-1.28067e+01
Coefficient B			2.44844e+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.			385.31
Temperature range, max.			668.85
η	0.0015770	Pa×s	385.31	Calculated Property
η	0.0009755	Pa×s	416.81	Calculated Property
η	0.0006456	Pa×s	448.32	Calculated Property
η	0.0004511	Pa×s	479.82	Calculated Property
η	0.0003294	Pa×s	511.33	Calculated Property
η	0.0002495	Pa×s	542.83	Calculated Property
η	0.0001948	Pa×s	574.34	Calculated Property
η	0.0001561	Pa×s	605.84	Calculated Property
η	0.0001278	Pa×s	637.35	Calculated Property
η	0.0001066	Pa×s	668.85	Calculated Property

Similar Compounds

Find more compounds similar to 2-Methylpentanoic acid, 2-biphenyl ester.

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

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.