Chemical Properties of (+/-)-(1,2-DIBROMOETHYL)BENZENE (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
• Benzene, (1,2-dibromoethyl)-
• Dowspray 9
• Styrene dibromide
• «alpha»,«beta»-Dibromoethylbenzene

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	66.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.56	kJ/mol	Joback Calculated Property
ΔvapH°	63.73	kJ/mol	Relay (1.0) Calculated Property
IE	9.23	eV	Relay (1.0) Calculated Property
logPoct/wat	3.518		Crippen Calculated Property
McVol	134.820	ml/mol	McGowan Calculated Property
Tboil	523.98	K	Relay (1.0) Calculated Property
Tfus	[346.15; 346.65]	K
Tfus	346.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	346.15 ± 3.00	K	NIST
Tfus	346.65 ± 1.50	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
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
Cp,gas	[145.59; 332.21]	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			-2.35890e+01
Coefficient B			7.67200e-01
Coefficient C			-5.88600e-04
Coefficient D			1.77200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	145.59	J/mol×K	273.00	Calculated Property
Cp,gas	182.01	J/mol×K	353.78	Calculated Property
Cp,gas	213.19	J/mol×K	434.56	Calculated Property
Cp,gas	239.71	J/mol×K	515.33	Calculated Property
Cp,gas	262.13	J/mol×K	596.11	Calculated Property
Cp,gas	280.99	J/mol×K	676.89	Calculated Property
Cp,gas	296.87	J/mol×K	757.67	Calculated Property
Cp,gas	310.33	J/mol×K	838.44	Calculated Property
Cp,gas	321.92	J/mol×K	919.22	Calculated Property
Cp,gas	332.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016737; 0.0002645]	Pa×s	[346.48; 554.38]	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			-1.13122e+01
Coefficient B			1.70452e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			346.48
Temperature range, max.			554.38
η	0.0016737	Pa×s	346.48	Calculated Property
η	0.0012307	Pa×s	369.58	Calculated Property
η	0.0009383	Pa×s	392.68	Calculated Property
η	0.0007372	Pa×s	415.78	Calculated Property
η	0.0005941	Pa×s	438.88	Calculated Property
η	0.0004893	Pa×s	461.98	Calculated Property
η	0.0004104	Pa×s	485.08	Calculated Property
η	0.0003498	Pa×s	508.18	Calculated Property
η	0.0003024	Pa×s	531.28	Calculated Property
η	0.0002645	Pa×s	554.38	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
Pvap	[0.13; 101.43]	kPa	[359.00; 527.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.73609e+01
Coefficient B			-6.23899e+03
Coefficient C			-3.73410e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			359.00
Temperature range, max.			527.00
Pvap	0.13	kPa	359.00	Calculated Property
Pvap	0.38	kPa	377.67	Calculated Property
Pvap	0.98	kPa	396.33	Calculated Property
Pvap	2.32	kPa	415.00	Calculated Property
Pvap	5.05	kPa	433.67	Calculated Property
Pvap	10.25	kPa	452.33	Calculated Property
Pvap	19.57	kPa	471.00	Calculated Property
Pvap	35.44	kPa	489.67	Calculated Property
Pvap	61.22	kPa	508.33	Calculated Property
Pvap	101.43	kPa	527.00	Calculated Property

Similar Compounds

Find more compounds similar to (+/-)-(1,2-DIBROMOETHYL)BENZENE.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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