Chemical Properties of Benzene, 3-chloro-1,2,4-trimethyl

InChI

InChI=1S/C9H11Cl/c1-6-4-5-7(2)9(10)8(6)3/h4-5H,1-3H3

InChI Key

AXJGVZMSADXTDE-UHFFFAOYSA-N

Formula

C9H11Cl

SMILES

Cc1ccc(C)c(Cl)c1C

Molecular Weight¹

154.64

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3649		Relay (1.0) Calculated Property
ΔfG°	96.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-44.43	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.14	kJ/mol	Joback Calculated Property
ΔvapH°	54.31	kJ/mol	Relay (1.0) Calculated Property
IE	8.35	eV	Relay (1.0) Calculated Property
log10WS	-4.29		Relay (1.0) Calculated Property
logPoct/wat	3.265		Crippen Calculated Property
McVol	126.150	ml/mol	McGowan Calculated Property
Pc	2976.29	kPa	Joback Calculated Property
Inp	[1178.00; 1182.00]
Inp	1182.00		NIST
Inp	1178.00		NIST
Inp	1182.00		NIST
Inp	1182.00		NIST
Tboil	486.30	K	Relay (1.0) Calculated Property
Tc	710.67	K	Relay (1.0) Calculated Property
Tfus	312.52	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[243.41; 307.06]	J/mol×K	[484.57; 702.28]
Cp,gas	243.41	J/mol×K	484.57	Joback Calculated Property
Cp,gas	255.47	J/mol×K	520.85	Joback Calculated Property
Cp,gas	266.93	J/mol×K	557.14	Joback Calculated Property
Cp,gas	277.81	J/mol×K	593.42	Joback Calculated Property
Cp,gas	288.11	J/mol×K	629.71	Joback Calculated Property
Cp,gas	297.86	J/mol×K	665.99	Joback Calculated Property
Cp,gas	307.06	J/mol×K	702.28	Joback Calculated Property
η	[0.0002264; 0.0012970]	Pa×s	[285.09; 484.57]
η	0.0012970	Pa×s	285.09	Joback Calculated Property
η	0.0008330	Pa×s	318.34	Joback Calculated Property
η	0.0005817	Pa×s	351.58	Joback Calculated Property
η	0.0004322	Pa×s	384.83	Joback Calculated Property
η	0.0003366	Pa×s	418.08	Joback Calculated Property
η	0.0002721	Pa×s	451.32	Joback Calculated Property
η	0.0002264	Pa×s	484.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 3-chloro-1,2,4-trimethyl.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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