Chemical Properties of 1-BROMO-4-IODOBENZENE

InChI

InChI=1S/C6H4BrI/c7-5-1-3-6(8)4-2-5/h1-4H

InChI Key

UCCUXODGPMAHRL-UHFFFAOYSA-N

Formula

C6H4BrI

SMILES

Brc1ccc(I)cc1

Molecular Weight¹

282.91

Other Names

• 4-Bromoiodobenzene
• p-Bromoiodobenzene
• p-Bromophenyl iodide
• p-Iodobromobenzene

• 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_subH° : Enthalpy of sublimation 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).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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	0.3116		Relay (1.0) Calculated Property
ΔfG°	174.86	kJ/mol	Joback Calculated Property
ΔfH°gas	193.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.64	kJ/mol	Joback Calculated Property
ΔsubH°	[78.50; 78.53]	kJ/mol
ΔsubH°	78.53 ± 0.16	kJ/mol	NIST
ΔsubH°	78.50 ± 0.40	kJ/mol	NIST
ΔvapH°	58.14	kJ/mol	Relay (1.0) Calculated Property
IE	8.52	eV	NIST
log10WS	[-4.56; -4.56]
log10WS	-4.56		Aq. Solubility Prediction
log10WS	-4.56		Estimated Solubility
logPoct/wat	3.054		Crippen Calculated Property
McVol	114.960	ml/mol	McGowan Calculated Property
Pc	4883.38	kPa	Joback Calculated Property
Tboil	519.79	K	Relay (1.0) Calculated Property
Tc	763.35	K	Relay (1.0) Calculated Property
Tfus	[363.25; 364.48]	K
Tfus	364.48	K	Aq. Solubility Prediction
Tfus	363.25 ± 0.50	K	NIST
Vc	0.391	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[171.21; 208.75]	J/mol×K	[527.84; 804.63]
Cp,gas	171.21	J/mol×K	527.84	Joback Calculated Property
Cp,gas	179.20	J/mol×K	573.97	Joback Calculated Property
Cp,gas	186.38	J/mol×K	620.10	Joback Calculated Property
Cp,gas	192.86	J/mol×K	666.23	Joback Calculated Property
Cp,gas	198.69	J/mol×K	712.37	Joback Calculated Property
Cp,gas	203.96	J/mol×K	758.50	Joback Calculated Property
Cp,gas	208.75	J/mol×K	804.63	Joback Calculated Property
η	[0.0003473; 0.0023919]	Pa×s	[314.18; 527.84]
η	0.0023919	Pa×s	314.18	Joback Calculated Property
η	0.0014722	Pa×s	349.79	Joback Calculated Property
η	0.0009912	Pa×s	385.40	Joback Calculated Property
η	0.0007135	Pa×s	421.01	Joback Calculated Property
η	0.0005406	Pa×s	456.62	Joback Calculated Property
η	0.0004264	Pa×s	492.23	Joback Calculated Property
η	0.0003473	Pa×s	527.84	Joback Calculated Property
ΔfusH	[19.13; 19.61]	kJ/mol	[363.25; 363.50]
ΔfusH	19.61	kJ/mol	363.25	NIST
ΔfusH	19.13	kJ/mol	363.30	NIST
ΔfusH	19.38	kJ/mol	363.50	NIST
ΔfusS	54.00	J/mol×K	363.25	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[394.20; 525.20]	K	[1.90; 101.00]
Tboilr	394.20	K	1.90	NIST
Tboilr	525.20	K	101.00	NIST

Similar Compounds

Find more compounds similar to 1-BROMO-4-IODOBENZENE.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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