Benzene, 1,2-dibromo- (CAS 583-53-9)

InChI

InChI=1S/C6H4Br2/c7-5-3-1-2-4-6(5)8/h1-4H

InChI Key

WQONPSCCEXUXTQ-UHFFFAOYSA-N

Formula

C6H4Br2

SMILES

Brc1ccccc1Br

Molecular Weight¹

235.91

CAS

583-53-9

Other Names

1,2-dibromobenzene
Benzene, o-dibromo-
O-dichlorobenzene
o-dibromobenzene
ortho-Dibromobenzene

ω : Acentric Factor.
C_p,gas : Ideal gas heat capacity (J/mol×K).
C_p,liquid : Liquid phase heat capacity (J/mol×K).
C_sat : Molar heat capacity at saturation pressure (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_fusH : Enthalpy of fusion at a given temperature (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).
I_np : Non-polar retention indices.
I : Polar retention indices.
Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
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.

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Physical Properties

Property	Value	Unit	Source
ω	0.3242		Relay (1.0) Calculated Property
Δ_fG°	131.06	kJ/mol	Joback Calculated Property
Δ_fH°_gas	132.97	kJ/mol	Relay (1.0) Calculated Property
Δ_fusH°	15.52	kJ/mol	Joback Calculated Property
Δ_vapH°	56.28	kJ/mol	Relay (1.0) Calculated Property
IE	[8.90; 9.05]	eV
IE	8.98 ± 0.02	eV	NIST
IE	8.91 ± 0.02	eV	NIST
IE	8.90	eV	NIST
IE	9.05	eV	NIST
IE	8.99 ± 0.03	eV	NIST
IE	9.02	eV	NIST
log₁₀WS	[-3.50; -3.50]
log₁₀WS	-3.50		Aq. Solubility Prediction
log₁₀WS	-3.50		Estimated Solubility
logP_oct/wat	3.212		Crippen Calculated Property
McVol	106.640	ml/mol	McGowan Calculated Property
P_c	5569.17	kPa	Joback Calculated Property
I_np	[1185.30; 1221.00]
I_np	1221.00		NIST
I_np	1185.30		NIST
I_np	1216.00		NIST
I_np	1221.00		NIST
I_np	1221.00		NIST
I_np	1185.30		NIST
I	[1830.00; 1830.00]
I	1830.00		NIST
I	1830.00		NIST
I	1830.00		NIST
T_boil	498.20	K	NIST
T_c	718.39	K	Relay (1.0) Calculated Property
T_fus	[274.95; 280.00]	K
T_fus	279.52	K	Aq. Solubility Prediction
T_fus	280.00 ± 0.02	K	NIST
T_fus	278.42 ± 0.05	K	NIST
T_fus	275.00 ± 1.50	K	NIST
T_fus	274.95 ± 0.50	K	NIST
T_fus	274.95 ± 0.50	K	NIST
V_c	0.377	m³/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[164.02; 202.96]	J/mol×K	[500.86; 757.53]

C_p,gas	164.02	J/mol×K	500.86	Joback Calculated Property
C_p,gas	172.13	J/mol×K	543.64	Joback Calculated Property
C_p,gas	179.51	J/mol×K	586.42	Joback Calculated Property
C_p,gas	186.23	J/mol×K	629.19	Joback Calculated Property
C_p,gas	192.33	J/mol×K	671.97	Joback Calculated Property
C_p,gas	197.89	J/mol×K	714.75	Joback Calculated Property
C_p,gas	202.96	J/mol×K	757.53	Joback Calculated Property
C_p,liquid	[177.44; 196.80]	J/mol×K	[283.15; 353.15]

C_p,liquid	177.44	J/mol×K	283.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
C_p,liquid	177.83	J/mol×K	285.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
C_p,liquid	178.12	J/mol×K	287.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
C_p,liquid	178.43	J/mol×K	289.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
C_p,liquid	178.75	J/mol×K	291.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
C_p,liquid	179.08	J/mol×K	293.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
C_p,liquid	179.42	J/mol×K	295.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
C_p,liquid	179.76	J/mol×K	297.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
C_p,liquid	196.80	J/mol×K	298.15	NIST
C_p,liquid	180.12	J/mol×K	299.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
C_p,liquid	180.48	J/mol×K	301.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
C_p,liquid	180.85	J/mol×K	303.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
C_p,liquid	181.22	J/mol×K	305.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
C_p,liquid	181.60	J/mol×K	307.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
C_p,liquid	181.99	J/mol×K	309.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
C_p,liquid	182.38	J/mol×K	311.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
C_p,liquid	182.77	J/mol×K	313.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
C_p,liquid	183.17	J/mol×K	315.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
C_p,liquid	183.57	J/mol×K	317.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
C_p,liquid	183.97	J/mol×K	319.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
C_p,liquid	184.38	J/mol×K	321.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
C_p,liquid	184.79	J/mol×K	323.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
C_p,liquid	185.19	J/mol×K	325.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
C_p,liquid	185.60	J/mol×K	327.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
C_p,liquid	186.01	J/mol×K	329.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
C_p,liquid	186.42	J/mol×K	331.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
C_p,liquid	186.82	J/mol×K	333.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
C_p,liquid	187.23	J/mol×K	335.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
C_p,liquid	187.63	J/mol×K	337.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
C_p,liquid	188.03	J/mol×K	339.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
C_p,liquid	188.42	J/mol×K	341.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
C_p,liquid	188.82	J/mol×K	343.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
C_p,liquid	189.20	J/mol×K	345.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
C_p,liquid	189.58	J/mol×K	347.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
C_p,liquid	189.96	J/mol×K	349.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
C_p,liquid	190.33	J/mol×K	351.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
C_p,liquid	190.69	J/mol×K	353.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
C_sat	[181.00; 190.00]	J/mol×K	[290.00; 330.00]

C_sat	181.00	J/mol×K	290.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_sat	183.00	J/mol×K	298.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_sat	183.00	J/mol×K	300.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_sat	185.00	J/mol×K	310.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_sat	188.00	J/mol×K	320.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_sat	190.00	J/mol×K	330.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
η	[0.0003529; 0.0018711]	Pa×s	[315.92; 500.86]

η	0.0018711	Pa×s	315.92	Joback Calculated Property
η	0.0012523	Pa×s	346.74	Joback Calculated Property
η	0.0008949	Pa×s	377.57	Joback Calculated Property
η	0.0006728	Pa×s	408.39	Joback Calculated Property
η	0.0005265	Pa×s	439.21	Joback Calculated Property
η	0.0004254	Pa×s	470.04	Joback Calculated Property
η	0.0003529	Pa×s	500.86	Joback Calculated Property
Δ_fusH	[12.61; 13.59]	kJ/mol	[274.95; 275.00]
Δ_fusH	13.59	kJ/mol	274.95	NIST
Δ_fusH	13.59	kJ/mol	274.95	NIST
Δ_fusH	12.61	kJ/mol	275.00	NIST
Δ_fusH	12.61	kJ/mol	275.00	NIST
Δ_vapH	[50.10; 53.10]	kJ/mol	[298.15; 478.00]
Δ_vapH	53.10	kJ/mol	298.15	Enthalpies of Vaporization and Sublimation of the Halogen-Substituted Aromatic Hydrocarbons at 298.15 K: Application of Solution Calorimetry Approach
Δ_vapH	50.10	kJ/mol	478.00	NIST
Δ_fusS	[49.40; 49.40]	J/mol×K	[274.95; 274.95]
Δ_fusS	49.40	J/mol×K	274.95	NIST
Δ_fusS	49.40	J/mol×K	274.95	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
P_vap	[1.33; 202.63]	kPa	[365.02; 534.47]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.37724e+01
Coefficient B			-3.84834e+03
Coefficient C			-7.96360e+01
Temperature range, min.			365.02
Temperature range, max.			534.47

P_vap	1.33	kPa	365.02	Calculated Property
P_vap	3.07	kPa	383.85	Calculated Property
P_vap	6.42	kPa	402.68	Calculated Property
P_vap	12.37	kPa	421.50	Calculated Property
P_vap	22.27	kPa	440.33	Calculated Property
P_vap	37.80	kPa	459.16	Calculated Property
P_vap	61.05	kPa	477.99	Calculated Property
P_vap	94.41	kPa	496.81	Calculated Property
P_vap	140.61	kPa	515.64	Calculated Property
P_vap	202.63	kPa	534.47	Calculated Property
P_vap	[3.61; 389.70]	kPa	[388.15; 568.15]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + Cln(T) + DT^2
Coefficient A			7.83542e+01
Coefficient B			-9.17476e+03
Coefficient C			-9.05766e+00
Coefficient D			3.73877e-06
Temperature range, min.			388.15
Temperature range, max.			568.15

P_vap	3.61	kPa	388.15	Calculated Property
P_vap	7.74	kPa	408.15	Calculated Property
P_vap	15.27	kPa	428.15	Calculated Property
P_vap	28.06	kPa	448.15	Calculated Property
P_vap	48.52	kPa	468.15	Calculated Property
P_vap	79.65	kPa	488.15	Calculated Property
P_vap	124.98	kPa	508.15	Calculated Property
P_vap	188.61	kPa	528.15	Calculated Property
P_vap	275.15	kPa	548.15	Calculated Property
P_vap	389.70	kPa	568.15	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,2-dibromo-.

Mixtures

Benzene + Benzene, 1,2-dibromo-

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Chemical Properties of Benzene, 1,2-dibromo- (CAS 583-53-9)