Chemical Properties of Benzene, 1,2-bis(bromomethyl)- (CAS 91-13-4)

InChI

InChI=1S/C8H8Br2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5-6H2

InChI Key

KGKAYWMGPDWLQZ-UHFFFAOYSA-N

Formula

C8H8Br2

SMILES

BrCc1ccccc1CBr

Molecular Weight¹

263.96

CAS

91-13-4

Other Names

• 1,2-Bis(bromomethyl)benzene
• 1,2-Di(bromomethyl)benzene
• o-(Bromomethyl)benzyl bromide
• o-Bis(bromomethyl)benzene
• o-Xylene, «alpha»,«alpha»'-dibromo-
• o-Xylylene dibromide
• «alpha»,«alpha» '-Dibromo-ortho-xylene
• «alpha»,«alpha»'-Dibromo-o-xylene
• «alpha»,«alpha»'-Dibromo-o-xylol

• 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_fusH : Enthalpy of fusion at a given temperature (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

Property	Value	Unit	Source
ω	0.5134		Relay (1.0) Calculated Property
ΔfH°gas	48.42	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.70	kJ/mol	Joback Calculated Property
ΔvapH°	66.44	kJ/mol	Relay (1.0) Calculated Property
IE	9.02	eV	Relay (1.0) Calculated Property
log10WS	-4.00		Relay (1.0) Calculated Property
logPoct/wat	3.476		Crippen Calculated Property
McVol	134.820	ml/mol	McGowan Calculated Property
Pc	4260.71	kPa	Joback Calculated Property
Tboil	545.97	K	Relay (1.0) Calculated Property
Tc	753.21	K	Relay (1.0) Calculated Property
Tfus	[368.00; 370.00]	K
Tfus	368.00	K	NIST
Tfus	370.00 ± 1.00	K	NIST
Vc	0.463	m3/kmol	Relay (1.0) Calculated Property

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Temperature Dependent Properties

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[402.00; 402.20]	K	[0.50; 0.60]
Tboilr	402.20	K	0.50	NIST
Tboilr	402.00 ± 1.00	K	0.60	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[148.46; 328.63]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-7.60800e+00
Coefficient B			7.01800e-01
Coefficient C			-5.18360e-04
Coefficient D			1.52800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	148.46	J/mol×K	273.00	Calculated Property
Cp,gas	182.56	J/mol×K	353.78	Calculated Property
Cp,gas	212.02	J/mol×K	434.56	Calculated Property
Cp,gas	237.30	J/mol×K	515.33	Calculated Property
Cp,gas	258.91	J/mol×K	596.11	Calculated Property
Cp,gas	277.32	J/mol×K	676.89	Calculated Property
Cp,gas	293.01	J/mol×K	757.67	Calculated Property
Cp,gas	306.47	J/mol×K	838.44	Calculated Property
Cp,gas	318.19	J/mol×K	919.22	Calculated Property
Cp,gas	328.63	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012232; 0.0002822]	Pa×s	[369.00; 554.89]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.10842e+01
Coefficient B			1.61544e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			369.00
Temperature range, max.			554.89
η	0.0012232	Pa×s	369.00	Calculated Property
η	0.0009698	Pa×s	389.65	Calculated Property
η	0.0007872	Pa×s	410.31	Calculated Property
η	0.0006518	Pa×s	430.96	Calculated Property
η	0.0005491	Pa×s	451.62	Calculated Property
η	0.0004696	Pa×s	472.27	Calculated Property
η	0.0004069	Pa×s	492.92	Calculated Property
η	0.0003567	Pa×s	513.58	Calculated Property
η	0.0003158	Pa×s	534.23	Calculated Property
η	0.0002822	Pa×s	554.89	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[398.17; 569.52]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.43381e+01
Coefficient B			-4.32591e+03
Coefficient C			-9.02860e+01
Temperature range, min.			398.17
Temperature range, max.			569.52
Pvap	1.33	kPa	398.17	Calculated Property
Pvap	3.02	kPa	417.21	Calculated Property
Pvap	6.26	kPa	436.25	Calculated Property
Pvap	12.02	kPa	455.29	Calculated Property
Pvap	21.63	kPa	474.33	Calculated Property
Pvap	36.82	kPa	493.36	Calculated Property
Pvap	59.74	kPa	512.40	Calculated Property
Pvap	92.97	kPa	531.44	Calculated Property
Pvap	139.49	kPa	550.48	Calculated Property
Pvap	202.64	kPa	569.52	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,2-bis(bromomethyl)-.

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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