Chemical Properties of 1-Chloro-4-tert-butoxybenzene

InChI

InChI=1S/C10H13ClO/c1-10(2,3)12-9-6-4-8(11)5-7-9/h4-7H,1-3H3

InChI Key

NEJWTQIEQDHWTR-UHFFFAOYSA-N

Formula

C10H13ClO

SMILES

CC(C)(C)Oc1ccc(Cl)cc1

Molecular Weight¹

184.67

• 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).
• T_boil : Normal Boiling Point 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 Temperature, Critical Pressure, 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	[190.26; 441.91]	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			-1.18900e+01
Coefficient B			8.84860e-01
Coefficient C			-5.65560e-04
Coefficient D			1.34500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	190.26	J/mol×K	273.00	Calculated Property
Cp,gas	236.32	J/mol×K	353.78	Calculated Property
Cp,gas	276.87	J/mol×K	434.56	Calculated Property
Cp,gas	312.32	J/mol×K	515.33	Calculated Property
Cp,gas	343.10	J/mol×K	596.11	Calculated Property
Cp,gas	369.65	J/mol×K	676.89	Calculated Property
Cp,gas	392.37	J/mol×K	757.67	Calculated Property
Cp,gas	411.71	J/mol×K	838.44	Calculated Property
Cp,gas	428.08	J/mol×K	919.22	Calculated Property
Cp,gas	441.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023736; 0.0001831]	Pa×s	[295.97; 518.22]	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			-1.20175e+01
Coefficient B			1.76815e+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.			295.97
Temperature range, max.			518.22
η	0.0023736	Pa×s	295.97	Calculated Property
η	0.0014983	Pa×s	320.66	Calculated Property
η	0.0010101	Pa×s	345.36	Calculated Property
η	0.0007178	Pa×s	370.05	Calculated Property
η	0.0005323	Pa×s	394.75	Calculated Property
η	0.0004089	Pa×s	419.44	Calculated Property
η	0.0003235	Pa×s	444.14	Calculated Property
η	0.0002623	Pa×s	468.83	Calculated Property
η	0.0002172	Pa×s	493.53	Calculated Property
η	0.0001831	Pa×s	518.22	Calculated Property

Similar Compounds

Find more compounds similar to 1-Chloro-4-tert-butoxybenzene.

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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