Chemical Properties of Benzene, 4-bromo-1,2-dimethyl- (CAS 583-71-1)

InChI

InChI=1S/C8H9Br/c1-6-3-4-8(9)5-7(6)2/h3-5H,1-2H3

InChI Key

QOGHRLGTXVMRLM-UHFFFAOYSA-N

Formula

C8H9Br

SMILES

Cc1ccc(Br)cc1C

Molecular Weight¹

185.06

CAS

583-71-1

Other Names

• 1-Bromo-3,4-dimethylbenzene
• 3,4-Dimethylbromobenzene
• 3,4-Dimethylphenyl bromide
• 3,4-Xylyl bromide
• 4-Bromo-1,2-dimethylbenzene
• 4-Bromo-1,2-xylene
• 4-Bromo-o-xylene
• 4-Bromo-ortho-xylene
• o-Xylene, 4-bromo-

• 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).
• 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

Property	Value	Unit	Source
ΔfG°	123.95	kJ/mol	Joback Calculated Property
ΔfH°gas	31.47	kJ/mol	Joback Calculated Property
ΔfusH°	15.02	kJ/mol	Joback Calculated Property
ΔvapH°	43.44	kJ/mol	Joback Calculated Property
log10WS	-3.59		Crippen Calculated Property
logPoct/wat	3.066		Crippen Calculated Property
McVol	117.320	ml/mol	McGowan Calculated Property
Pc	3829.28	kPa	Joback Calculated Property
Tboil	[480.00; 487.70]	K
Tboil	487.70	K	NIST
Tboil	480.00 ± 1.00	K	NIST
Tc	716.43	K	Joback Calculated Property
Tfus	272.90	K	NIST
Vc	0.438	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[212.91; 270.81]	J/mol×K	[485.24; 716.43]
Cp,gas	212.91	J/mol×K	485.24	Joback Calculated Property
Cp,gas	224.18	J/mol×K	523.77	Joback Calculated Property
Cp,gas	234.76	J/mol×K	562.30	Joback Calculated Property
Cp,gas	244.68	J/mol×K	600.83	Joback Calculated Property
Cp,gas	253.98	J/mol×K	639.37	Joback Calculated Property
Cp,gas	262.68	J/mol×K	677.90	Joback Calculated Property
Cp,gas	270.81	J/mol×K	716.43	Joback Calculated Property
η	[0.0002772; 0.0016069]	Pa×s	[291.18; 485.24]
η	0.0016069	Pa×s	291.18	Joback Calculated Property
η	0.0010357	Pa×s	323.52	Joback Calculated Property
η	0.0007230	Pa×s	355.87	Joback Calculated Property
η	0.0005358	Pa×s	388.21	Joback Calculated Property
η	0.0004159	Pa×s	420.55	Joback Calculated Property
η	0.0003347	Pa×s	452.90	Joback Calculated Property
η	0.0002772	Pa×s	485.24	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[359.12; 520.00]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.41300e+01
Coefficient B			-3.90915e+03
Coefficient C			-7.67170e+01
Temperature range, min.			359.12
Temperature range, max.			520.00
Pvap	1.33	kPa	359.12	Calculated Property
Pvap	3.04	kPa	377.00	Calculated Property
Pvap	6.32	kPa	394.87	Calculated Property
Pvap	12.14	kPa	412.75	Calculated Property
Pvap	21.85	kPa	430.62	Calculated Property
Pvap	37.17	kPa	448.50	Calculated Property
Pvap	60.20	kPa	466.37	Calculated Property
Pvap	93.48	kPa	484.25	Calculated Property
Pvap	139.89	kPa	502.12	Calculated Property
Pvap	202.63	kPa	520.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 4-bromo-1,2-dimethyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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