Chemical Properties of Benzene, 1-bromo-4-ethyl- (CAS 1585-07-5)

InChI

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

InChI Key

URFPRAHGGBYNPW-UHFFFAOYSA-N

Formula

C8H9Br

SMILES

CCc1ccc(Br)cc1

Molecular Weight¹

185.06

CAS

1585-07-5

Other Names

• 1-Bromo-4-ethylbenzene
• 4-Ethylbromobenzene
• p-Bromoethylbenzene
• p-Ethylbromobenzene

• 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).
• 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_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°	133.58	kJ/mol	Joback Calculated Property
ΔfH°gas	42.94	kJ/mol	Joback Calculated Property
ΔfusH°	15.41	kJ/mol	Joback Calculated Property
ΔvapH°	42.78	kJ/mol	Joback Calculated Property
log10WS	-3.44		Crippen Calculated Property
logPoct/wat	3.012		Crippen Calculated Property
McVol	117.320	ml/mol	McGowan Calculated Property
Pc	3901.37	kPa	Joback Calculated Property
Tboil	[477.20; 478.22]	K
Tboil	477.20	K	NIST
Tboil	478.22 ± 0.07	K	NIST
Tc	710.10	K	Joback Calculated Property
Tfus	229.68 ± 0.05	K	NIST
Vc	0.438	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[212.97; 272.56]	J/mol×K	[480.26; 710.10]
Cp,gas	212.97	J/mol×K	480.26	Joback Calculated Property
Cp,gas	224.69	J/mol×K	518.57	Joback Calculated Property
Cp,gas	235.65	J/mol×K	556.87	Joback Calculated Property
Cp,gas	245.87	J/mol×K	595.18	Joback Calculated Property
Cp,gas	255.40	J/mol×K	633.48	Joback Calculated Property
Cp,gas	264.29	J/mol×K	671.79	Joback Calculated Property
Cp,gas	272.56	J/mol×K	710.10	Joback Calculated Property
η	[0.0002886; 0.0021418]	Pa×s	[278.66; 480.26]
η	0.0021418	Pa×s	278.66	Joback Calculated Property
η	0.0012813	Pa×s	312.26	Joback Calculated Property
η	0.0008469	Pa×s	345.86	Joback Calculated Property
η	0.0006024	Pa×s	379.46	Joback Calculated Property
η	0.0004529	Pa×s	413.06	Joback Calculated Property
η	0.0003554	Pa×s	446.66	Joback Calculated Property
η	0.0002886	Pa×s	480.26	Joback Calculated Property
ΔvapH	[46.20; 52.00]	kJ/mol	[391.00; 455.50]
ΔvapH	52.00	kJ/mol	391.00	NIST
ΔvapH	46.20	kJ/mol	413.00	NIST
ΔvapH	49.40	kJ/mol	455.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[350.72; 509.02]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.41003e+01
Coefficient B			-3.82504e+03
Coefficient C			-7.37980e+01
Temperature range, min.			350.72
Temperature range, max.			509.02
Pvap	1.33	kPa	350.72	Calculated Property
Pvap	3.04	kPa	368.31	Calculated Property
Pvap	6.32	kPa	385.90	Calculated Property
Pvap	12.16	kPa	403.49	Calculated Property
Pvap	21.89	kPa	421.08	Calculated Property
Pvap	37.22	kPa	438.66	Calculated Property
Pvap	60.28	kPa	456.25	Calculated Property
Pvap	93.57	kPa	473.84	Calculated Property
Pvap	139.97	kPa	491.43	Calculated Property
Pvap	202.67	kPa	509.02	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-bromo-4-ethyl-.

Sources

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

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