Chemical Properties of Adipic acid, heptyl 3-phenoxybenzyl ester

InChI

InChI=1S/C26H34O5/c1-2-3-4-5-11-19-29-25(27)17-9-10-18-26(28)30-21-22-13-12-16-24(20-22)31-23-14-7-6-8-15-23/h6-8,12-16,20H,2-5,9-11,17-19,21H2,1H3

InChI Key

XZOCDHSNCCUEEV-UHFFFAOYSA-N

Formula

C26H34O5

SMILES

CCCCCCCOC(=O)CCCCC(=O)OCc1cccc(Oc2ccccc2)c1

Molecular Weight¹

426.55

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, 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	[493.16; 1155.32]	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			2.06100e+00
Coefficient B			2.08372e+00
Coefficient C			-1.08576e-03
Coefficient D			1.55300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	493.16	J/mol×K	273.00	Calculated Property
Cp,gas	610.22	J/mol×K	353.78	Calculated Property
Cp,gas	715.26	J/mol×K	434.56	Calculated Property
Cp,gas	808.78	J/mol×K	515.33	Calculated Property
Cp,gas	891.26	J/mol×K	596.11	Calculated Property
Cp,gas	963.20	J/mol×K	676.89	Calculated Property
Cp,gas	1025.08	J/mol×K	757.67	Calculated Property
Cp,gas	1077.40	J/mol×K	838.44	Calculated Property
Cp,gas	1120.65	J/mol×K	919.22	Calculated Property
Cp,gas	1155.32	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002408; 0.0000241]	Pa×s	[555.03; 850.85]	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			-1.49543e+01
Coefficient B			3.67571e+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.			555.03
Temperature range, max.			850.85
η	0.0002408	Pa×s	555.03	Calculated Property
η	0.0001663	Pa×s	587.90	Calculated Property
η	0.0001194	Pa×s	620.77	Calculated Property
η	0.0000887	Pa×s	653.64	Calculated Property
η	0.0000677	Pa×s	686.51	Calculated Property
η	0.0000530	Pa×s	719.38	Calculated Property
η	0.0000424	Pa×s	752.25	Calculated Property
η	0.0000346	Pa×s	785.12	Calculated Property
η	0.0000286	Pa×s	817.98	Calculated Property
η	0.0000241	Pa×s	850.85	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, heptyl 3-phenoxybenzyl ester.

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.