Chemical Properties of Benzene, 1-(bromomethyl)-4-methyl- (CAS 104-81-4)

InChI

InChI=1S/C8H9Br/c1-7-2-4-8(6-9)5-3-7/h2-5H,6H2,1H3

InChI Key

WZRKSPFYXUXINF-UHFFFAOYSA-N

Formula

C8H9Br

SMILES

Cc1ccc(CBr)cc1

Molecular Weight¹

185.06

CAS

104-81-4

Other Names

• 1-(Bromomethyl)-4-methylbenzene
• 4-(Bromomethyl)toluene
• 4-Methylbenzyl bromide
• NSC 8050
• p-(Bromomethyl)toluene
• p-Methylbenzyl bromide
• p-Xylene, «alpha»-bromo-
• p-Xylyl bromide
• p-Xylyl-«alpha»-bromide
• «alpha»-Bromo-p-xylene
• «alpha»-Bromo-p-xylol

• 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	[213.03; 272.62]	J/mol×K	[480.46; 710.39]
Cp,gas	213.03	J/mol×K	480.46	Joback Calculated Property
Cp,gas	224.76	J/mol×K	518.78	Joback Calculated Property
Cp,gas	235.71	J/mol×K	557.10	Joback Calculated Property
Cp,gas	245.93	J/mol×K	595.43	Joback Calculated Property
Cp,gas	255.47	J/mol×K	633.75	Joback Calculated Property
Cp,gas	264.35	J/mol×K	672.07	Joback Calculated Property
Cp,gas	272.62	J/mol×K	710.39	Joback Calculated Property
η	[0.0002882; 0.0021418]	Pa×s	[278.66; 480.46]
η	0.0021418	Pa×s	278.66	Joback Calculated Property
η	0.0012807	Pa×s	312.29	Joback Calculated Property
η	0.0008463	Pa×s	345.93	Joback Calculated Property
η	0.0006019	Pa×s	379.56	Joback Calculated Property
η	0.0004524	Pa×s	413.19	Joback Calculated Property
η	0.0003550	Pa×s	446.83	Joback Calculated Property
η	0.0002882	Pa×s	480.46	Joback Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[363.52; 524.41]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42193e+01
Coefficient B			-3.97434e+03
Coefficient C			-7.82460e+01
Temperature range, min.			363.52
Temperature range, max.			524.41
Pvap	1.33	kPa	363.52	Calculated Property
Pvap	3.03	kPa	381.40	Calculated Property
Pvap	6.29	kPa	399.27	Calculated Property
Pvap	12.09	kPa	417.15	Calculated Property
Pvap	21.75	kPa	435.03	Calculated Property
Pvap	37.01	kPa	452.90	Calculated Property
Pvap	60.00	kPa	470.78	Calculated Property
Pvap	93.26	kPa	488.66	Calculated Property
Pvap	139.72	kPa	506.53	Calculated Property
Pvap	202.64	kPa	524.41	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-(bromomethyl)-4-methyl-.

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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