Chemical Properties of 6-Chloro-2,4-di-tert-butylphenyl propionate (CAS 101865-85-4)

InChI

InChI=1S/C17H25ClO2/c1-8-14(19)20-15-12(17(5,6)7)9-11(10-13(15)18)16(2,3)4/h9-10H,8H2,1-7H3

InChI Key

ZCFMAVGMRKJUOC-UHFFFAOYSA-N

Formula

C17H25ClO2

SMILES

CCC(=O)Oc1c(Cl)cc(C(C)(C)C)cc1C(C)(C)C

Molecular Weight¹

296.83

CAS

101865-85-4

• 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	[343.33; 788.04]	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			-1.42190e+01
Coefficient B			1.56514e+00
Coefficient C			-1.00048e-03
Coefficient D			2.37600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	343.33	J/mol×K	273.00	Calculated Property
Cp,gas	424.79	J/mol×K	353.78	Calculated Property
Cp,gas	496.49	J/mol×K	434.56	Calculated Property
Cp,gas	559.17	J/mol×K	515.33	Calculated Property
Cp,gas	613.59	J/mol×K	596.11	Calculated Property
Cp,gas	660.50	J/mol×K	676.89	Calculated Property
Cp,gas	700.64	J/mol×K	757.67	Calculated Property
Cp,gas	734.78	J/mol×K	838.44	Calculated Property
Cp,gas	763.66	J/mol×K	919.22	Calculated Property
Cp,gas	788.04	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009525; 0.0000880]	Pa×s	[422.42; 655.07]	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			-1.36628e+01
Coefficient B			2.83292e+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.			422.42
Temperature range, max.			655.07
η	0.0009525	Pa×s	422.42	Calculated Property
η	0.0006470	Pa×s	448.27	Calculated Property
η	0.0004584	Pa×s	474.12	Calculated Property
η	0.0003366	Pa×s	499.97	Calculated Property
η	0.0002548	Pa×s	525.82	Calculated Property
η	0.0001979	Pa×s	551.67	Calculated Property
η	0.0001573	Pa×s	577.52	Calculated Property
η	0.0001275	Pa×s	603.37	Calculated Property
η	0.0001051	Pa×s	629.22	Calculated Property
η	0.0000880	Pa×s	655.07	Calculated Property

Similar Compounds

Find more compounds similar to 6-Chloro-2,4-di-tert-butylphenyl propionate.

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

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