Chemical Properties of 4-Tert-butylphenyl 2,2-dichloropropanoate

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

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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 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	[266.78; 596.03]	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			-2.62900e+01
Coefficient B			1.31088e+00
Coefficient C			-9.37360e-04
Coefficient D			2.48800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	266.78	J/mol×K	273.00	Calculated Property
Cp,gas	331.17	J/mol×K	353.78	Calculated Property
Cp,gas	386.77	J/mol×K	434.56	Calculated Property
Cp,gas	434.37	J/mol×K	515.33	Calculated Property
Cp,gas	474.75	J/mol×K	596.11	Calculated Property
Cp,gas	508.71	J/mol×K	676.89	Calculated Property
Cp,gas	537.03	J/mol×K	757.67	Calculated Property
Cp,gas	560.50	J/mol×K	838.44	Calculated Property
Cp,gas	579.91	J/mol×K	919.22	Calculated Property
Cp,gas	596.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018700; 0.0001189]	Pa×s	[382.22; 622.28]	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			-1.34246e+01
Coefficient B			2.73012e+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.			382.22
Temperature range, max.			622.28
η	0.0018700	Pa×s	382.22	Calculated Property
η	0.0011735	Pa×s	408.89	Calculated Property
η	0.0007797	Pa×s	435.57	Calculated Property
η	0.0005431	Pa×s	462.24	Calculated Property
η	0.0003935	Pa×s	488.91	Calculated Property
η	0.0002947	Pa×s	515.59	Calculated Property
η	0.0002272	Pa×s	542.26	Calculated Property
η	0.0001794	Pa×s	568.93	Calculated Property
η	0.0001447	Pa×s	595.60	Calculated Property
η	0.0001189	Pa×s	622.28	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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