Chemical Properties of Benzene, (3-bromopropyl)- (CAS 637-59-2)

InChI

InChI=1S/C9H11Br/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2

InChI Key

XMZQWZJMTBCUFT-UHFFFAOYSA-N

Formula

C9H11Br

SMILES

BrCCCc1ccccc1

Molecular Weight¹

199.09

CAS

637-59-2

Other Names

• (3-Bromopropyl)benzene
• («gamma»-Bromopropyl)benzene
• 1-Bromo-3-phenylpropane
• 1-Phenyl-3-bromopropane
• 3-Bromo-1-phenylpropane
• 3-Phenylpropyl bromide
• NSC 133438
• «gamma»-Phenylpropyl bromide

• 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).
• 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).
• 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	0.4757		Relay (1.0) Calculated Property
ΔfG°	151.63	kJ/mol	Joback Calculated Property
ΔfH°gas	40.93	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.39	kJ/mol	Joback Calculated Property
ΔvapH°	60.16	kJ/mol	Relay (1.0) Calculated Property
IE	9.00 ± 0.10	eV	NIST
log10WS	-3.44		Relay (1.0) Calculated Property
logPoct/wat	3.014		Crippen Calculated Property
McVol	131.410	ml/mol	McGowan Calculated Property
Pc	3534.66	kPa	Joback Calculated Property
Tboil	[492.70; 493.00]	K
Tboil	493.00	K	NIST
Tboil	492.70	K	NIST
Tc	724.80	K	Relay (1.0) Calculated Property
Tfus	218.09	K	Relay (1.0) Calculated Property
Vc	0.472	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[153.14; 374.19]	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			-3.10070e+01
Coefficient B			8.18100e-01
Coefficient C			-5.68400e-04
Coefficient D			1.55500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	153.14	J/mol×K	273.00	Calculated Property
Cp,gas	194.16	J/mol×K	353.78	Calculated Property
Cp,gas	229.93	J/mol×K	434.56	Calculated Property
Cp,gas	260.92	J/mol×K	515.33	Calculated Property
Cp,gas	287.63	J/mol×K	596.11	Calculated Property
Cp,gas	310.55	J/mol×K	676.89	Calculated Property
Cp,gas	330.18	J/mol×K	757.67	Calculated Property
Cp,gas	347.00	J/mol×K	838.44	Calculated Property
Cp,gas	361.51	J/mol×K	919.22	Calculated Property
Cp,gas	374.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029667; 0.0002679]	Pa×s	[277.41; 506.16]	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			-1.11412e+01
Coefficient B			1.47608e+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.			277.41
Temperature range, max.			506.16
η	0.0029667	Pa×s	277.41	Calculated Property
η	0.0018981	Pa×s	302.83	Calculated Property
η	0.0013014	Pa×s	328.24	Calculated Property
η	0.0009420	Pa×s	353.66	Calculated Property
η	0.0007121	Pa×s	379.08	Calculated Property
η	0.0005575	Pa×s	404.49	Calculated Property
η	0.0004493	Pa×s	429.91	Calculated Property
η	0.0003710	Pa×s	455.33	Calculated Property
η	0.0003125	Pa×s	480.74	Calculated Property
η	0.0002679	Pa×s	506.16	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[363.12; 525.64]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.41219e+01
Coefficient B			-3.94294e+03
Coefficient C			-7.81070e+01
Temperature range, min.			363.12
Temperature range, max.			525.64
Pvap	1.33	kPa	363.12	Calculated Property
Pvap	3.04	kPa	381.18	Calculated Property
Pvap	6.32	kPa	399.24	Calculated Property
Pvap	12.15	kPa	417.29	Calculated Property
Pvap	21.86	kPa	435.35	Calculated Property
Pvap	37.18	kPa	453.41	Calculated Property
Pvap	60.23	kPa	471.47	Calculated Property
Pvap	93.51	kPa	489.52	Calculated Property
Pvap	139.91	kPa	507.58	Calculated Property
Pvap	202.64	kPa	525.64	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, (3-bromopropyl)-.

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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