Chemical Properties of 1-Chloro-3-isopropyl-4-methylbenzene

InChI

InChI=1S/C10H13Cl/c1-7(2)10-6-9(11)5-4-8(10)3/h4-7H,1-3H3

InChI Key

ISPBEETWYSGCDQ-UHFFFAOYSA-N

Formula

C10H13Cl

SMILES

Cc1ccc(Cl)cc1C(C)C

Molecular Weight¹

168.67

• 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_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).
• 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	[178.55; 419.44]	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			-3.00000e-01
Coefficient B			7.68660e-01
Coefficient C			-4.40920e-04
Coefficient D			9.20000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	178.55	J/mol×K	273.00	Calculated Property
Cp,gas	220.52	J/mol×K	353.78	Calculated Property
Cp,gas	258.01	J/mol×K	434.56	Calculated Property
Cp,gas	291.31	J/mol×K	515.33	Calculated Property
Cp,gas	320.71	J/mol×K	596.11	Calculated Property
Cp,gas	346.51	J/mol×K	676.89	Calculated Property
Cp,gas	368.99	J/mol×K	757.67	Calculated Property
Cp,gas	388.44	J/mol×K	838.44	Calculated Property
Cp,gas	405.16	J/mol×K	919.22	Calculated Property
Cp,gas	419.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023579; 0.0002105]	Pa×s	[268.84; 504.03]	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			-1.12281e+01
Coefficient B			1.39208e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			268.84
Temperature range, max.			504.03
η	0.0023579	Pa×s	268.84	Calculated Property
η	0.0014904	Pa×s	294.97	Calculated Property
η	0.0010151	Pa×s	321.10	Calculated Property
η	0.0007325	Pa×s	347.24	Calculated Property
η	0.0005533	Pa×s	373.37	Calculated Property
η	0.0004335	Pa×s	399.50	Calculated Property
η	0.0003500	Pa×s	425.63	Calculated Property
η	0.0002897	Pa×s	451.76	Calculated Property
η	0.0002448	Pa×s	477.89	Calculated Property
η	0.0002105	Pa×s	504.03	Calculated Property

Similar Compounds

Find more compounds similar to 1-Chloro-3-isopropyl-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

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