Chemical Properties of 4-Tert-butylphenyl 2,2-dichloropropanoate (CAS 116594-65-1)

InChI

InChI=1S/C13H16Cl2O2/c1-12(2,3)9-5-7-10(8-6-9)17-11(16)13(4,14)15/h5-8H,1-4H3

InChI Key

MJPDDYAFCYSHHG-UHFFFAOYSA-N

Formula

C13H16Cl2O2

SMILES

CC(Cl)(Cl)C(=O)Oc1ccc(C(C)(C)C)cc1

Molecular Weight¹

275.17

CAS

116594-65-1

• 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	[504.08; 575.86]	J/mol×K	[673.19; 908.60]
Cp,gas	504.08	J/mol×K	673.19	Joback Calculated Property
Cp,gas	518.72	J/mol×K	712.43	Joback Calculated Property
Cp,gas	532.16	J/mol×K	751.66	Joback Calculated Property
Cp,gas	544.51	J/mol×K	790.90	Joback Calculated Property
Cp,gas	555.85	J/mol×K	830.13	Joback Calculated Property
Cp,gas	566.27	J/mol×K	869.37	Joback Calculated Property
Cp,gas	575.86	J/mol×K	908.60	Joback Calculated Property
η	[0.0001040; 0.0013322]	Pa×s	[412.05; 673.19]
η	0.0013322	Pa×s	412.05	Joback Calculated Property
η	0.0007109	Pa×s	455.57	Joback Calculated Property
η	0.0004233	Pa×s	499.10	Joback Calculated Property
η	0.0002739	Pa×s	542.62	Joback Calculated Property
η	0.0001891	Pa×s	586.14	Joback Calculated Property
η	0.0001374	Pa×s	629.67	Joback Calculated Property
η	0.0001040	Pa×s	673.19	Joback Calculated Property

Similar Compounds

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

Sources

• 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.