Chemical Properties of Benzene, 2-bromo-4-methyl-1-(1-methylethyl)- (CAS 4478-10-8)

InChI

InChI=1S/C10H13Br/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7H,1-3H3

InChI Key

XMIWWDSQSRUTKQ-UHFFFAOYSA-N

Formula

C10H13Br

SMILES

Cc1ccc(C(C)C)c(Br)c1

Molecular Weight¹

213.12

CAS

4478-10-8

Other Names

• 3-Bromo-4-isopropyltoluene
• Thymyl bromide
• p-Cymene, 3-bromo-

• ω : Acentric Factor.
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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_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

Cheméo can also estimate Standard Gibbs free energy of formation 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	[298.57; 370.10]	J/mol×K	[530.76; 759.14]
Cp,gas	298.57	J/mol×K	530.76	Joback Calculated Property
Cp,gas	312.48	J/mol×K	568.82	Joback Calculated Property
Cp,gas	325.54	J/mol×K	606.89	Joback Calculated Property
Cp,gas	337.79	J/mol×K	644.95	Joback Calculated Property
Cp,gas	349.28	J/mol×K	683.02	Joback Calculated Property
Cp,gas	360.03	J/mol×K	721.08	Joback Calculated Property
Cp,gas	370.10	J/mol×K	759.14	Joback Calculated Property
η	[0.0002290; 0.0020742]	Pa×s	[298.72; 530.76]
η	0.0020742	Pa×s	298.72	Joback Calculated Property
η	0.0011640	Pa×s	337.39	Joback Calculated Property
η	0.0007356	Pa×s	376.07	Joback Calculated Property
η	0.0005065	Pa×s	414.74	Joback Calculated Property
η	0.0003716	Pa×s	453.41	Joback Calculated Property
η	0.0002862	Pa×s	492.09	Joback Calculated Property
η	0.0002290	Pa×s	530.76	Joback Calculated Property
ΔvapH	48.30	kJ/mol	455.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[368.04; 539.92]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.60510e+01
Coefficient B			-5.79192e+03
Coefficient C			-6.09000e-01
Temperature range, min.			368.04
Temperature range, max.			539.92
Pvap	1.33	kPa	368.04	Calculated Property
Pvap	2.91	kPa	387.14	Calculated Property
Pvap	5.88	kPa	406.24	Calculated Property
Pvap	11.18	kPa	425.33	Calculated Property
Pvap	20.10	kPa	444.43	Calculated Property
Pvap	34.44	kPa	463.53	Calculated Property
Pvap	56.54	kPa	482.63	Calculated Property
Pvap	89.38	kPa	501.72	Calculated Property
Pvap	136.62	kPa	520.82	Calculated Property
Pvap	202.65	kPa	539.92	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 2-bromo-4-methyl-1-(1-methylethyl)-.

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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