Chemical Properties of Benzene, (1,2-dibromoethyl)- (CAS 93-52-7)

InChI

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

InChI Key

SHKKTLSDGJRCTR-UHFFFAOYSA-N

Formula

C8H8Br2

SMILES

BrCC(Br)c1ccccc1

Molecular Weight¹

263.96

CAS

93-52-7

Other Names

• (1,2-Dibromoethyl)benzene
• 1,2-Dibromo-1-phenylethane
• 1,2-Dibromo-2-phenylethane
• 1,2-Dibromophenylethane
• 1-Phenyl-1,2-dibromoethane
• Dowspray 9
• Styrene dibromide
• «alpha»,«beta»-Dibromoethylbenzene
• «alpha»,«beta»-Dibromoethylbenzene

• 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).
• 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_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	0.4740		Relay (1.0) Calculated Property
ΔfG°	155.09	kJ/mol	Joback Calculated Property
ΔfH°gas	66.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.56	kJ/mol	Joback Calculated Property
ΔvapH°	63.95	kJ/mol	Relay (1.0) Calculated Property
IE	9.23	eV	Relay (1.0) Calculated Property
log10WS	-3.19		Relay (1.0) Calculated Property
logPoct/wat	3.518		Crippen Calculated Property
McVol	134.820	ml/mol	McGowan Calculated Property
Pc	4391.59	kPa	Joback Calculated Property
Tboil	523.98	K	Relay (1.0) Calculated Property
Tc	760.22	K	Relay (1.0) Calculated Property
Tfus	[346.15; 346.65]	K
Tfus	346.15 ± 3.00	K	NIST
Tfus	346.65 ± 1.50	K	NIST
Vc	0.455	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[247.25; 302.80]	J/mol×K	[541.00; 791.67]
Cp,gas	247.25	J/mol×K	541.00	Joback Calculated Property
Cp,gas	258.69	J/mol×K	582.78	Joback Calculated Property
Cp,gas	269.15	J/mol×K	624.56	Joback Calculated Property
Cp,gas	278.71	J/mol×K	666.34	Joback Calculated Property
Cp,gas	287.46	J/mol×K	708.12	Joback Calculated Property
Cp,gas	295.46	J/mol×K	749.89	Joback Calculated Property
Cp,gas	302.80	J/mol×K	791.67	Joback Calculated Property
η	[0.0002854; 0.0029370]	Pa×s	[310.94; 541.00]
η	0.0029370	Pa×s	310.94	Joback Calculated Property
η	0.0016090	Pa×s	349.28	Joback Calculated Property
η	0.0009929	Pa×s	387.63	Joback Calculated Property
η	0.0006683	Pa×s	425.97	Joback Calculated Property
η	0.0004803	Pa×s	464.31	Joback Calculated Property
η	0.0003630	Pa×s	502.66	Joback Calculated Property
η	0.0002854	Pa×s	541.00	Joback Calculated Property
ΔvapH	[50.80; 64.90]	kJ/mol	[443.00; 458.00]
ΔvapH	64.90	kJ/mol	443.00	NIST
ΔvapH	50.80	kJ/mol	458.00	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[398.17; 569.52]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
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-dibromoethyl)-.

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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