Chemical Properties of Acetic acid. (o-benzyloxyphenyl)phenyl-, benzyl ester

InChI

InChI=1S/C28H24O3/c29-28(31-21-23-14-6-2-7-15-23)27(24-16-8-3-9-17-24)25-18-10-11-19-26(25)30-20-22-12-4-1-5-13-22/h1-19,27H,20-21H2

InChI Key

CSTXHOUFYJFFBP-UHFFFAOYSA-N

Formula

C28H24O3

SMILES

O=C(OCc1ccccc1)C(c1ccccc1)c1ccccc1OCc1ccccc1

Molecular Weight¹

408.50

• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[404.42; 1013.88]	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			-9.46580e+01
Coefficient B			2.17660e+00
Coefficient C			-1.35476e-03
Coefficient D			2.86700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	404.42	J/mol×K	273.00	Calculated Property
Cp,gas	518.51	J/mol×K	353.78	Calculated Property
Cp,gas	618.89	J/mol×K	434.56	Calculated Property
Cp,gas	706.47	J/mol×K	515.33	Calculated Property
Cp,gas	782.16	J/mol×K	596.11	Calculated Property
Cp,gas	846.85	J/mol×K	676.89	Calculated Property
Cp,gas	901.47	J/mol×K	757.67	Calculated Property
Cp,gas	946.90	J/mol×K	838.44	Calculated Property
Cp,gas	984.07	J/mol×K	919.22	Calculated Property
Cp,gas	1013.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002522; 0.0000255]	Pa×s	[573.08; 905.06]	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			-1.45305e+01
Coefficient B			3.57897e+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.			573.08
Temperature range, max.			905.06
η	0.0002522	Pa×s	573.08	Calculated Property
η	0.0001729	Pa×s	609.97	Calculated Property
η	0.0001237	Pa×s	646.85	Calculated Property
η	0.0000918	Pa×s	683.74	Calculated Property
η	0.0000702	Pa×s	720.63	Calculated Property
η	0.0000551	Pa×s	757.52	Calculated Property
η	0.0000443	Pa×s	794.40	Calculated Property
η	0.0000362	Pa×s	831.29	Calculated Property
η	0.0000302	Pa×s	868.18	Calculated Property
η	0.0000255	Pa×s	905.06	Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid. (o-benzyloxyphenyl)phenyl-, benzyl 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

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