Chemical Properties of 2,4-Ditert-butyl-6-chlorophenyl chloroacetate

InChI

InChI=1S/C16H22Cl2O2/c1-15(2,3)10-7-11(16(4,5)6)14(12(18)8-10)20-13(19)9-17/h7-8H,9H2,1-6H3

InChI Key

FNJSIWWSGGXZNM-UHFFFAOYSA-N

Formula

C16H22Cl2O2

SMILES

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

Molecular Weight¹

317.26

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[335.52; 744.72]	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			-4.19000e-01
Coefficient B			1.47692e+00
Coefficient C			-9.66480e-04
Coefficient D			2.34700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	335.52	J/mol×K	273.00	Calculated Property
Cp,gas	411.51	J/mol×K	353.78	Calculated Property
Cp,gas	478.14	J/mol×K	434.56	Calculated Property
Cp,gas	536.14	J/mol×K	515.33	Calculated Property
Cp,gas	586.27	J/mol×K	596.11	Calculated Property
Cp,gas	629.26	J/mol×K	676.89	Calculated Property
Cp,gas	665.86	J/mol×K	757.67	Calculated Property
Cp,gas	696.81	J/mol×K	838.44	Calculated Property
Cp,gas	722.85	J/mol×K	919.22	Calculated Property
Cp,gas	744.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008305; 0.0000873]	Pa×s	[441.07; 669.70]	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			-1.36913e+01
Coefficient B			2.91008e+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.			441.07
Temperature range, max.			669.70
η	0.0008305	Pa×s	441.07	Calculated Property
η	0.0005798	Pa×s	466.47	Calculated Property
η	0.0004201	Pa×s	491.88	Calculated Property
η	0.0003142	Pa×s	517.28	Calculated Property
η	0.0002414	Pa×s	542.68	Calculated Property
η	0.0001900	Pa×s	568.09	Calculated Property
η	0.0001526	Pa×s	593.49	Calculated Property
η	0.0001247	Pa×s	618.90	Calculated Property
η	0.0001036	Pa×s	644.30	Calculated Property
η	0.0000873	Pa×s	669.70	Calculated Property

Similar Compounds

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

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

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.