Chemical Properties of Benzene, 3-bromo-1,2,4,5-tetramethyl- (CAS 1646-53-3)

InChI

InChI=1S/C10H13Br/c1-6-5-7(2)9(4)10(11)8(6)3/h5H,1-4H3

InChI Key

WJKBPTLQJXKEHC-UHFFFAOYSA-N

Formula

C10H13Br

SMILES

Cc1cc(C)c(C)c(Br)c1C

Molecular Weight¹

213.11

CAS

1646-53-3

Other Names

• 1-Bromo-2,3,5,6-tetramethylbenzene
• 2,3,5,6-Tetramethylbromobenzene
• 3-Bromo-1,2,4,5-tetramethylbenzene
• 3-Bromodurene
• Bromodurene
• Duryl bromide

• 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).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[297.48; 364.95]	J/mol×K	[540.96; 766.39]
Cp,gas	297.48	J/mol×K	540.96	Joback Calculated Property
Cp,gas	310.32	J/mol×K	578.53	Joback Calculated Property
Cp,gas	322.50	J/mol×K	616.10	Joback Calculated Property
Cp,gas	334.03	J/mol×K	653.68	Joback Calculated Property
Cp,gas	344.94	J/mol×K	691.25	Joback Calculated Property
Cp,gas	355.24	J/mol×K	728.82	Joback Calculated Property
Cp,gas	364.95	J/mol×K	766.39	Joback Calculated Property
η	[0.0002311; 0.0010425]	Pa×s	[338.76; 540.96]
η	0.0010425	Pa×s	338.76	Joback Calculated Property
η	0.0007239	Pa×s	372.46	Joback Calculated Property
η	0.0005341	Pa×s	406.16	Joback Calculated Property
η	0.0004128	Pa×s	439.86	Joback Calculated Property
η	0.0003310	Pa×s	473.56	Joback Calculated Property
η	0.0002733	Pa×s	507.26	Joback Calculated Property
η	0.0002311	Pa×s	540.96	Joback Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[376.75; 555.78]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.35587e+01
Coefficient B			-3.90043e+03
Coefficient C			-8.28420e+01
Temperature range, min.			376.75
Temperature range, max.			555.78
Pvap	1.33	kPa	376.75	Calculated Property
Pvap	3.09	kPa	396.64	Calculated Property
Pvap	6.49	kPa	416.53	Calculated Property
Pvap	12.52	kPa	436.43	Calculated Property
Pvap	22.54	kPa	456.32	Calculated Property
Pvap	38.21	kPa	476.21	Calculated Property
Pvap	61.59	kPa	496.10	Calculated Property
Pvap	95.01	kPa	516.00	Calculated Property
Pvap	141.08	kPa	535.89	Calculated Property
Pvap	202.64	kPa	555.78	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 3-bromo-1,2,4,5-tetramethyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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