Chemical Properties of 1-Chloromethyl-3,5-bis(1,1-dimethylethyl)benzene (CAS 51625-14-0)

InChI

InChI=1S/C15H23Cl/c1-14(2,3)12-7-11(10-16)8-13(9-12)15(4,5)6/h7-9H,10H2,1-6H3

InChI Key

UNRGFCVSCXJGCL-UHFFFAOYSA-N

Formula

C15H23Cl

SMILES

CC(C)(C)c1cc(CCl)cc(C(C)(C)C)c1

Molecular Weight¹

238.80

CAS

51625-14-0

Other Names

• Benzene,1-(chloromethyl)-3,5-bis(1,1-dimethylethyl)-

• 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).
• 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, 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	[282.02; 679.79]	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			-5.21090e+01
Coefficient B			1.48942e+00
Coefficient C			-1.05332e-03
Coefficient D			2.95800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	282.02	J/mol×K	273.00	Calculated Property
Cp,gas	356.08	J/mol×K	353.78	Calculated Property
Cp,gas	420.49	J/mol×K	434.56	Calculated Property
Cp,gas	476.19	J/mol×K	515.33	Calculated Property
Cp,gas	524.11	J/mol×K	596.11	Calculated Property
Cp,gas	565.19	J/mol×K	676.89	Calculated Property
Cp,gas	600.36	J/mol×K	757.67	Calculated Property
Cp,gas	630.56	J/mol×K	838.44	Calculated Property
Cp,gas	656.73	J/mol×K	919.22	Calculated Property
Cp,gas	679.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021864; 0.0001438]	Pa×s	[345.03; 582.06]	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			-1.28094e+01
Coefficient B			2.30614e+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.			345.03
Temperature range, max.			582.06
η	0.0021864	Pa×s	345.03	Calculated Property
η	0.0013611	Pa×s	371.37	Calculated Property
η	0.0009022	Pa×s	397.70	Calculated Property
η	0.0006293	Pa×s	424.04	Calculated Property
η	0.0004579	Pa×s	450.38	Calculated Property
η	0.0003451	Pa×s	476.71	Calculated Property
η	0.0002679	Pa×s	503.05	Calculated Property
η	0.0002132	Pa×s	529.39	Calculated Property
η	0.0001735	Pa×s	555.72	Calculated Property
η	0.0001438	Pa×s	582.06	Calculated Property

Similar Compounds

Find more compounds similar to 1-Chloromethyl-3,5-bis(1,1-dimethylethyl)benzene.

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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