Chemical Properties of 2,4-Ditert-butyl-6-chlorophenyl phenylacetate (CAS 116296-26-5)

InChI

InChI=1S/C22H27ClO2/c1-21(2,3)16-13-17(22(4,5)6)20(18(23)14-16)25-19(24)12-15-10-8-7-9-11-15/h7-11,13-14H,12H2,1-6H3

InChI Key

NSDNNCDBSGFZIE-UHFFFAOYSA-N

Formula

C22H27ClO2

SMILES

CC(C)(C)c1cc(Cl)c(OC(=O)Cc2ccccc2)c(C(C)(C)C)c1

Molecular Weight¹

358.90

CAS

116296-26-5

• 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[880.77; 961.79]	J/mol×K	[878.32; 1115.43]
Cp,gas	880.77	J/mol×K	878.32	Joback Calculated Property
Cp,gas	896.99	J/mol×K	917.84	Joback Calculated Property
Cp,gas	911.98	J/mol×K	957.36	Joback Calculated Property
Cp,gas	925.83	J/mol×K	996.87	Joback Calculated Property
Cp,gas	938.67	J/mol×K	1036.39	Joback Calculated Property
Cp,gas	950.62	J/mol×K	1075.91	Joback Calculated Property
Cp,gas	961.79	J/mol×K	1115.43	Joback Calculated Property
η	[0.0000321; 0.0003617]	Pa×s	[535.02; 878.32]
η	0.0003617	Pa×s	535.02	Joback Calculated Property
η	0.0001988	Pa×s	592.24	Joback Calculated Property
η	0.0001214	Pa×s	649.45	Joback Calculated Property
η	0.0000803	Pa×s	706.67	Joback Calculated Property
η	0.0000565	Pa×s	763.89	Joback Calculated Property
η	0.0000417	Pa×s	821.10	Joback Calculated Property
η	0.0000321	Pa×s	878.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4-Ditert-butyl-6-chlorophenyl phenylacetate.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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