Chemical Properties of 2,4-Ditert-butylphenyl 2,2-dichloropropanoate (CAS 116402-58-5)

InChI

InChI=1S/C17H24Cl2O2/c1-15(2,3)11-8-9-13(12(10-11)16(4,5)6)21-14(20)17(7,18)19/h8-10H,1-7H3

InChI Key

FMBVLXLQSTUNDN-UHFFFAOYSA-N

Formula

C17H24Cl2O2

SMILES

CC(Cl)(Cl)C(=O)Oc1ccc(C(C)(C)C)cc1C(C)(C)C

Molecular Weight¹

331.28

CAS

116402-58-5

• 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	[718.47; 799.58]	J/mol×K	[766.46; 997.70]
Cp,gas	718.47	J/mol×K	766.46	Joback Calculated Property
Cp,gas	734.66	J/mol×K	805.00	Joback Calculated Property
Cp,gas	749.63	J/mol×K	843.54	Joback Calculated Property
Cp,gas	763.49	J/mol×K	882.08	Joback Calculated Property
Cp,gas	776.36	J/mol×K	920.62	Joback Calculated Property
Cp,gas	788.35	J/mol×K	959.16	Joback Calculated Property
Cp,gas	799.58	J/mol×K	997.70	Joback Calculated Property
η	[0.0000467; 0.0006699]	Pa×s	[472.07; 766.46]
η	0.0006699	Pa×s	472.07	Joback Calculated Property
η	0.0003487	Pa×s	521.13	Joback Calculated Property
η	0.0002030	Pa×s	570.20	Joback Calculated Property
η	0.0001288	Pa×s	619.26	Joback Calculated Property
η	0.0000874	Pa×s	668.33	Joback Calculated Property
η	0.0000625	Pa×s	717.39	Joback Calculated Property
η	0.0000467	Pa×s	766.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4-Ditert-butylphenyl 2,2-dichloropropanoate.

Sources

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

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