Chemical Properties of Benzene, (1-bromoethyl)- (CAS 585-71-7)

InChI

InChI=1S/C8H9Br/c1-7(9)8-5-3-2-4-6-8/h2-7H,1H3

InChI Key

CRRUGYDDEMGVDY-UHFFFAOYSA-N

Formula

C8H9Br

SMILES

CC(Br)c1ccccc1

Molecular Weight¹

185.06

CAS

585-71-7

Other Names

• (1-Bromoethyl)benzene
• («alpha»-Bromoethyl)benzene
• («alpha»-Bromoethyl)benzene
• 1-Bromo-1-phenylethane
• 1-Phenethyl bromide
• 1-Phenyl-1-bromoethane
• 1-Phenylethyl bromide
• NSC 8052
• «alpha»-Methylbenzyl bromide
• «alpha»-Phenethyl bromide
• «alpha»-Phenylethyl bromide
• «alpha»-Methylbenzyl bromide
• «alpha»-Phenethyl bromide
• «alpha»-Phenylethyl bromide

• 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).
• 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_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
ΔfG°	140.77	kJ/mol	Joback Calculated Property
ΔfH°gas	49.13	kJ/mol	Joback Calculated Property
ΔfusH°	12.28	kJ/mol	Joback Calculated Property
ΔvapH°	[52.40; 56.40]	kJ/mol
ΔvapH°	56.40 ± 0.30	kJ/mol	NIST
ΔvapH°	52.40	kJ/mol	NIST
log10WS	-3.16		Crippen Calculated Property
logPoct/wat	3.143		Crippen Calculated Property
McVol	117.320	ml/mol	McGowan Calculated Property
Pc	4015.93	kPa	Joback Calculated Property
Inp	1139.00		NIST
Tboil	474.84	K	Joback Calculated Property
Tc	708.92	K	Joback Calculated Property
Tfus	251.14	K	Joback Calculated Property
Vc	0.431	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[213.09; 276.09]	J/mol×K	[474.84; 708.92]
Cp,gas	213.09	J/mol×K	474.84	Joback Calculated Property
Cp,gas	225.68	J/mol×K	513.85	Joback Calculated Property
Cp,gas	237.36	J/mol×K	552.87	Joback Calculated Property
Cp,gas	248.20	J/mol×K	591.88	Joback Calculated Property
Cp,gas	258.23	J/mol×K	630.89	Joback Calculated Property
Cp,gas	267.51	J/mol×K	669.90	Joback Calculated Property
Cp,gas	276.09	J/mol×K	708.92	Joback Calculated Property
η	[0.0002860; 0.0041027]	Pa×s	[251.14; 474.84]
η	0.0041027	Pa×s	251.14	Joback Calculated Property
η	0.0019756	Pa×s	288.42	Joback Calculated Property
η	0.0011246	Pa×s	325.71	Joback Calculated Property
η	0.0007187	Pa×s	362.99	Joback Calculated Property
η	0.0004993	Pa×s	400.27	Joback Calculated Property
η	0.0003690	Pa×s	437.56	Joback Calculated Property
η	0.0002860	Pa×s	474.84	Joback Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[367.00; 367.20]	K	[2.10; 2.10]
Tboilr	367.20	K	2.10	NIST
Tboilr	367.00	K	2.10	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.19; 202.66]	kPa	[222.70; 558.46]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			9.04032e+00
Coefficient B			-1.92124e+03
Coefficient C			-4.32180e+01
Temperature range, min.			222.70
Temperature range, max.			558.46
Pvap	0.19	kPa	222.70	Calculated Property
Pvap	1.19	kPa	260.01	Calculated Property
Pvap	4.39	kPa	297.31	Calculated Property
Pvap	11.56	kPa	334.62	Calculated Property
Pvap	24.42	kPa	371.93	Calculated Property
Pvap	44.31	kPa	409.23	Calculated Property
Pvap	72.01	kPa	446.54	Calculated Property
Pvap	107.78	kPa	483.85	Calculated Property
Pvap	151.48	kPa	521.15	Calculated Property
Pvap	202.66	kPa	558.46	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, (1-bromoethyl)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.