Chemical Properties of Benzene, (3-bromopropoxy)- (CAS 588-63-6)

InChI

InChI=1S/C9H11BrO/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2

InChI Key

NIDWUZTTXGJFNN-UHFFFAOYSA-N

Formula

C9H11BrO

SMILES

BrCCCOc1ccccc1

Molecular Weight¹

215.09

CAS

588-63-6

Other Names

• 3-Phenoxypropyl bromide
• «gamma»-Phenoxypropyl bromide
• (3-Bromopropoxy)benzene
• Ether, 3-bromopropyl phenyl
• 1-Bromo-3-phenoxypropane
• 3-Bromopropyl phenyl ether

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[168.54; 392.69]	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			-5.50700e+00
Coefficient B			7.54900e-01
Coefficient C			-4.57400e-04
Coefficient D			1.00700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	168.54	J/mol×K	273.00	Calculated Property
Cp,gas	208.77	J/mol×K	353.78	Calculated Property
Cp,gas	244.43	J/mol×K	434.56	Calculated Property
Cp,gas	275.83	J/mol×K	515.33	Calculated Property
Cp,gas	303.29	J/mol×K	596.11	Calculated Property
Cp,gas	327.14	J/mol×K	676.89	Calculated Property
Cp,gas	347.68	J/mol×K	757.67	Calculated Property
Cp,gas	365.24	J/mol×K	838.44	Calculated Property
Cp,gas	380.14	J/mol×K	919.22	Calculated Property
Cp,gas	392.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022066; 0.0002301]	Pa×s	[299.64; 520.09]	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			-1.14499e+01
Coefficient B			1.59817e+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.			299.64
Temperature range, max.			520.09
η	0.0022066	Pa×s	299.64	Calculated Property
η	0.0014746	Pa×s	324.13	Calculated Property
η	0.0010429	Pa×s	348.63	Calculated Property
η	0.0007719	Pa×s	373.12	Calculated Property
η	0.0005929	Pa×s	397.62	Calculated Property
η	0.0004695	Pa×s	422.11	Calculated Property
η	0.0003815	Pa×s	446.60	Calculated Property
η	0.0003167	Pa×s	471.10	Calculated Property
η	0.0002678	Pa×s	495.59	Calculated Property
η	0.0002301	Pa×s	520.09	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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