Chemical Properties of Benzene, 1-bromo-2-ethyl- (CAS 1973-22-4)

InChI

InChI=1S/C8H9Br/c1-2-7-5-3-4-6-8(7)9/h3-6H,2H2,1H3

InChI Key

HVRUGFJYCAFAAN-UHFFFAOYSA-N

Formula

C8H9Br

SMILES

CCc1ccccc1Br

Molecular Weight¹

185.06

CAS

1973-22-4

Other Names

• 1-Bromo-2-ethylbenzene
• 1-Ethyl-2-bromobenzene
• 2-Bromo-1-ethylbenzene
• 2-Ethylbromobenzene
• o-Bromoethylbenzene

• 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).
• I_np : Non-polar retention indices.
• 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
ω	0.3377		Relay (1.0) Calculated Property
ΔfG°	133.58	kJ/mol	Joback Calculated Property
ΔfH°gas	47.05	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.41	kJ/mol	Joback Calculated Property
ΔvapH°	54.15	kJ/mol	Relay (1.0) Calculated Property
IE	8.74	eV	Relay (1.0) Calculated Property
log10WS	-3.74		Relay (1.0) Calculated Property
logPoct/wat	3.012		Crippen Calculated Property
McVol	117.320	ml/mol	McGowan Calculated Property
Pc	3901.37	kPa	Joback Calculated Property
Inp	[1166.00; 1166.00]
Inp	1166.00		NIST
Inp	1166.00		NIST
Tboil	[472.50; 474.65]	K
Tboil	472.50	K	NIST
Tboil	474.65 ± 0.07	K	NIST
Tc	689.19	K	Relay (1.0) Calculated Property
Tfus	[205.61; 205.90]	K
Tfus	205.90 ± 0.70	K	NIST
Tfus	205.61 ± 0.05	K	NIST
Vc	0.425	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[134.47; 319.56]	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			-1.57990e+01
Coefficient B			6.63620e-01
Coefficient C			-4.46960e-04
Coefficient D			1.18700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	134.47	J/mol×K	273.00	Calculated Property
Cp,gas	168.29	J/mol×K	353.78	Calculated Property
Cp,gas	197.92	J/mol×K	434.56	Calculated Property
Cp,gas	223.73	J/mol×K	515.33	Calculated Property
Cp,gas	246.11	J/mol×K	596.11	Calculated Property
Cp,gas	265.42	J/mol×K	676.89	Calculated Property
Cp,gas	282.05	J/mol×K	757.67	Calculated Property
Cp,gas	296.37	J/mol×K	838.44	Calculated Property
Cp,gas	308.74	J/mol×K	919.22	Calculated Property
Cp,gas	319.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0116309; 0.0002625]	Pa×s	[205.75; 497.27]	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			-1.09213e+01
Coefficient B			1.33066e+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.			205.75
Temperature range, max.			497.27
η	0.0116309	Pa×s	205.75	Calculated Property
η	0.0048261	Pa×s	238.15	Calculated Property
η	0.0024720	Pa×s	270.54	Calculated Property
η	0.0014610	Pa×s	302.93	Calculated Property
η	0.0009558	Pa×s	335.32	Calculated Property
η	0.0006738	Pa×s	367.71	Calculated Property
η	0.0005027	Pa×s	400.10	Calculated Property
η	0.0003919	Pa×s	432.49	Calculated Property
η	0.0003163	Pa×s	464.88	Calculated Property
η	0.0002625	Pa×s	497.27	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[346.96; 504.10]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.40866e+01
Coefficient B			-3.78741e+03
Coefficient C			-7.24910e+01
Temperature range, min.			346.96
Temperature range, max.			504.10
Pvap	1.33	kPa	346.96	Calculated Property
Pvap	3.04	kPa	364.42	Calculated Property
Pvap	6.33	kPa	381.88	Calculated Property
Pvap	12.17	kPa	399.34	Calculated Property
Pvap	21.90	kPa	416.80	Calculated Property
Pvap	37.24	kPa	434.26	Calculated Property
Pvap	60.31	kPa	451.72	Calculated Property
Pvap	93.61	kPa	469.18	Calculated Property
Pvap	140.00	kPa	486.64	Calculated Property
Pvap	202.67	kPa	504.10	Calculated Property

Similar Compounds

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

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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