Chemical Properties of Benzoyl bromide (CAS 618-32-6)

InChI

InChI=1S/C7H5BrO/c8-7(9)6-4-2-1-3-5-6/h1-5H

InChI Key

AQIHMSVIAGNIDM-UHFFFAOYSA-N

Formula

C7H5BrO

SMILES

O=C(Br)c1ccccc1

Molecular Weight¹

185.02

CAS

618-32-6

• 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_fH°_liquid : Liquid phase 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).
• 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°	5.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-48.50 ± 6.30	kJ/mol	NIST
ΔfH°liquid	-107.30 ± 0.71	kJ/mol	NIST
ΔfusH°	14.81	kJ/mol	Joback Calculated Property
ΔvapH°	58.60 ± 6.30	kJ/mol	NIST
IE	[9.20; 9.80]	eV
IE	9.20	eV	NIST
IE	9.65	eV	NIST
IE	9.80	eV	NIST
log10WS	-2.64		Crippen Calculated Property
logPoct/wat	2.222		Crippen Calculated Property
McVol	104.800	ml/mol	McGowan Calculated Property
Pc	4910.80	kPa	Joback Calculated Property
Tboil	[491.50; 491.70]	K
Tboil	491.70	K	NIST
Tboil	491.50 ± 0.50	K	NIST
Tc	749.47	K	Joback Calculated Property
Tfus	249.00	K	NIST
Vc	0.388	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[184.89; 231.91]	J/mol×K	[506.27; 749.47]
Cp,gas	184.89	J/mol×K	506.27	Joback Calculated Property
Cp,gas	194.53	J/mol×K	546.80	Joback Calculated Property
Cp,gas	203.39	J/mol×K	587.34	Joback Calculated Property
Cp,gas	211.50	J/mol×K	627.87	Joback Calculated Property
Cp,gas	218.93	J/mol×K	668.40	Joback Calculated Property
Cp,gas	225.71	J/mol×K	708.94	Joback Calculated Property
Cp,gas	231.91	J/mol×K	749.47	Joback Calculated Property
η	[0.0003571; 0.0026455]	Pa×s	[304.80; 506.27]
η	0.0026455	Pa×s	304.80	Joback Calculated Property
η	0.0016055	Pa×s	338.38	Joback Calculated Property
η	0.0010663	Pa×s	371.96	Joback Calculated Property
η	0.0007579	Pa×s	405.53	Joback Calculated Property
η	0.0005675	Pa×s	439.11	Joback Calculated Property
η	0.0004428	Pa×s	472.69	Joback Calculated Property
η	0.0003571	Pa×s	506.27	Joback Calculated Property
ΔvapH	52.30	kJ/mol	406.00	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[363.09; 522.13]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.57483e+01
Coefficient B			-5.10834e+03
Coefficient C			-3.26770e+01
Temperature range, min.			363.09
Temperature range, max.			522.13
Pvap	1.33	kPa	363.09	Calculated Property
Pvap	2.92	kPa	380.76	Calculated Property
Pvap	5.94	kPa	398.43	Calculated Property
Pvap	11.31	kPa	416.10	Calculated Property
Pvap	20.34	kPa	433.77	Calculated Property
Pvap	34.81	kPa	451.45	Calculated Property
Pvap	57.04	kPa	469.12	Calculated Property
Pvap	89.94	kPa	486.79	Calculated Property
Pvap	137.07	kPa	504.46	Calculated Property
Pvap	202.64	kPa	522.13	Calculated Property

Similar Compounds

Find more compounds similar to Benzoyl bromide.

Sources

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

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