Chemical Properties of 1-Chloro-3,5-diisopropyl-4-methylbenzene (CAS 98184-17-9)

InChI

InChI=1S/C13H19Cl/c1-8(2)12-6-11(14)7-13(9(3)4)10(12)5/h6-9H,1-5H3

InChI Key

UHDIGKFOULRONL-UHFFFAOYSA-N

Formula

C13H19Cl

SMILES

Cc1c(C(C)C)cc(Cl)cc1C(C)C

Molecular Weight¹

210.74

CAS

98184-17-9

• 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_fH°_liquid : Liquid phase 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	[244.43; 571.71]	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			9.59000e+00
Coefficient B			1.00010e+00
Coefficient C			-5.40280e-04
Coefficient D			1.02300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	244.43	J/mol×K	273.00	Calculated Property
Cp,gas	300.31	J/mol×K	353.78	Calculated Property
Cp,gas	350.56	J/mol×K	434.56	Calculated Property
Cp,gas	395.49	J/mol×K	515.33	Calculated Property
Cp,gas	435.44	J/mol×K	596.11	Calculated Property
Cp,gas	470.73	J/mol×K	676.89	Calculated Property
Cp,gas	501.67	J/mol×K	757.67	Calculated Property
Cp,gas	528.60	J/mol×K	838.44	Calculated Property
Cp,gas	551.84	J/mol×K	919.22	Calculated Property
Cp,gas	571.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022241; 0.0001783]	Pa×s	[300.17; 551.78]	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			-1.16423e+01
Coefficient B			1.66112e+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.			300.17
Temperature range, max.			551.78
η	0.0022241	Pa×s	300.17	Calculated Property
η	0.0013880	Pa×s	328.13	Calculated Property
η	0.0009328	Pa×s	356.08	Calculated Property
η	0.0006642	Pa×s	384.04	Calculated Property
η	0.0004952	Pa×s	412.00	Calculated Property
η	0.0003833	Pa×s	439.95	Calculated Property
η	0.0003059	Pa×s	467.91	Calculated Property
η	0.0002504	Pa×s	495.87	Calculated Property
η	0.0002094	Pa×s	523.82	Calculated Property
η	0.0001783	Pa×s	551.78	Calculated Property

Similar Compounds

Find more compounds similar to 1-Chloro-3,5-diisopropyl-4-methylbenzene.

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.
These property values are available through the Cheméo API. A free account gives you an access key.