Chemical Properties of Benzaldehyde, 2-bromo- (CAS 6630-33-7)

InChI

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

InChI Key

NDOPHXWIAZIXPR-UHFFFAOYSA-N

Formula

C7H5BrO

SMILES

O=Cc1ccccc1Br

Molecular Weight¹

185.02

CAS

6630-33-7

Other Names

• Benzaldehyde, o-bromo-
• o-Bromobenzaldehyde
• 2-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_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.
• I : Polar retention indices.
• 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
ω	0.3851		Relay (1.0) Calculated Property
ΔfG°	25.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-23.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.11	kJ/mol	Joback Calculated Property
ΔvapH°	61.71	kJ/mol	Relay (1.0) Calculated Property
IE	9.37	eV	Relay (1.0) Calculated Property
log10WS	-2.23		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	[1187.00; 1211.60]
Inp	1204.70		NIST
Inp	1211.60		NIST
Inp	1187.00		NIST
I	[1838.00; 1838.00]
I	1838.00		NIST
I	1838.00		NIST
Tboil	[503.00; 503.20]	K
Tboil	503.20	K	NIST
Tboil	503.00	K	NIST
Tc	770.90	K	Relay (1.0) Calculated Property
Tfus	295.00	K	NIST
Vc	0.373	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[186.18; 230.30]	J/mol×K	[506.04; 744.20]
Cp,gas	186.18	J/mol×K	506.04	Joback Calculated Property
Cp,gas	195.09	J/mol×K	545.73	Joback Calculated Property
Cp,gas	203.32	J/mol×K	585.43	Joback Calculated Property
Cp,gas	210.92	J/mol×K	625.12	Joback Calculated Property
Cp,gas	217.93	J/mol×K	664.81	Joback Calculated Property
Cp,gas	224.37	J/mol×K	704.51	Joback Calculated Property
Cp,gas	230.30	J/mol×K	744.20	Joback Calculated Property
η	[0.0003736; 0.0022488]	Pa×s	[309.39; 506.04]
η	0.0022488	Pa×s	309.39	Joback Calculated Property
η	0.0014448	Pa×s	342.16	Joback Calculated Property
η	0.0010028	Pa×s	374.94	Joback Calculated Property
η	0.0007382	Pa×s	407.71	Joback Calculated Property
η	0.0005687	Pa×s	440.49	Joback Calculated Property
η	0.0004543	Pa×s	473.26	Joback Calculated Property
η	0.0003736	Pa×s	506.04	Joback Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[391.20; 391.50]	K	[1.60; 1.60]
Tboilr	391.20	K	1.60	NIST
Tboilr	391.50 ± 0.50	K	1.60	NIST

Similar Compounds

Find more compounds similar to Benzaldehyde, 2-bromo-.

Sources

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

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