Chemical Properties of Benzaldehyde, 4-bromo- (CAS 1122-91-4)

InChI

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

InChI Key

ZRYZBQLXDKPBDU-UHFFFAOYSA-N

Formula

C7H5BrO

SMILES

O=Cc1ccc(Br)cc1

Molecular Weight¹

185.02

CAS

1122-91-4

Other Names

• 4-Brombenzaldehyd
• 4-bromobenzaldehyde
• Benzaldehyde, p-bromo-
• p-bromobenzaldehyde

• 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_fusH : Enthalpy of fusion at a given temperature (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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4027		Relay (1.0) Calculated Property
ΔfG°	25.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-26.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.65	kJ/mol	Phase Equilibria of Acrylonitrile and p-Bromobenzaldehyde in Carbon Dioxide
ΔvapH°	64.45	kJ/mol	Relay (1.0) Calculated Property
IE	9.22	eV	NIST
log10WS	-2.38		Relay (1.0) Calculated Property
logPoct/wat	2.262		Crippen Calculated Property
McVol	104.800	ml/mol	McGowan Calculated Property
Pc	4883.38	kPa	Joback Calculated Property
Inp	[1207.10; 1229.00]
Inp	1207.10		NIST
Inp	1216.50		NIST
Inp	1229.00		NIST
Tboil	505.18	K	Relay (1.0) Calculated Property
Tc	762.84	K	Relay (1.0) Calculated Property
Tfus	329.15 ± 2.00	K	NIST

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[186.22; 230.34]	J/mol×K	[506.24; 744.49]
Cp,gas	186.22	J/mol×K	506.24	Joback Calculated Property
Cp,gas	195.13	J/mol×K	545.95	Joback Calculated Property
Cp,gas	203.37	J/mol×K	585.66	Joback Calculated Property
Cp,gas	210.97	J/mol×K	625.37	Joback Calculated Property
Cp,gas	217.97	J/mol×K	665.07	Joback Calculated Property
Cp,gas	224.42	J/mol×K	704.78	Joback Calculated Property
Cp,gas	230.34	J/mol×K	744.49	Joback Calculated Property
η	[0.0003732; 0.0022488]	Pa×s	[309.39; 506.24]
η	0.0022488	Pa×s	309.39	Joback Calculated Property
η	0.0014442	Pa×s	342.20	Joback Calculated Property
η	0.0010022	Pa×s	375.01	Joback Calculated Property
η	0.0007375	Pa×s	407.81	Joback Calculated Property
η	0.0005682	Pa×s	440.62	Joback Calculated Property
η	0.0004538	Pa×s	473.43	Joback Calculated Property
η	0.0003732	Pa×s	506.24	Joback Calculated Property
ΔfusH	22.60	kJ/mol	334.20	NIST

Similar Compounds

Find more compounds similar to Benzaldehyde, 4-bromo-.

Mixtures

• Benzaldehyde, 4-bromo- + Carbon dioxide

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Phase Equilibria of Acrylonitrile and p-Bromobenzaldehyde in Carbon Dioxide
• Joback Method
• McGowan Method
• NIST Webbook

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