Chemical Properties of Ethanone, 1-(4-bromophenyl)- (CAS 99-90-1)

InChI

InChI=1S/C8H7BrO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3

InChI Key

WYECURVXVYPVAT-UHFFFAOYSA-N

Formula

C8H7BrO

SMILES

CC(=O)c1ccc(Br)cc1

Molecular Weight¹

199.04

CAS

99-90-1

Other Names

• 1-(4-bromophenyl)ethanone
• 1-acetyl-4-bromobenzene
• 4'-bromoacetophenone
• 4-Bromoacetophenone
• 4-bromophenyl methyl ketone
• Acetophenone, 4'-bromo-
• Methyl p-bromophenyl ketone
• p-Bromoacetophenone
• p-Bromophenyl methyl ketone

• 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).
• 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).
• I_np : Non-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
ΔfG°	4.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-69.64	kJ/mol	Joback Calculated Property
ΔfusH°	17.01	kJ/mol	Joback Calculated Property
ΔvapH°	49.52	kJ/mol	Joback Calculated Property
IE	[9.00; 9.55]	eV
IE	9.00 ± 0.10	eV	NIST
IE	9.55	eV	NIST
IE	9.50 ± 0.10	eV	NIST
log10WS	-3.29		Crippen Calculated Property
logPoct/wat	2.652		Crippen Calculated Property
McVol	118.890	ml/mol	McGowan Calculated Property
Pc	4227.54	kPa	Joback Calculated Property
Inp	[1278.00; 1315.10]
Inp	1286.30		NIST
Inp	1296.70		NIST
Inp	1308.00		NIST
Inp	1315.10		NIST
Inp	1278.00		NIST
Inp	1286.00		NIST
Inp	1286.30		NIST
Tboil	528.20	K	NIST
Tc	773.78	K	Joback Calculated Property
Tfus	324.00	K	NIST
Vc	0.444	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[225.59; 277.78]	J/mol×K	[534.13; 773.78]
Cp,gas	225.59	J/mol×K	534.13	Joback Calculated Property
Cp,gas	236.06	J/mol×K	574.07	Joback Calculated Property
Cp,gas	245.77	J/mol×K	614.01	Joback Calculated Property
Cp,gas	254.75	J/mol×K	653.96	Joback Calculated Property
Cp,gas	263.05	J/mol×K	693.90	Joback Calculated Property
Cp,gas	270.71	J/mol×K	733.84	Joback Calculated Property
Cp,gas	277.78	J/mol×K	773.78	Joback Calculated Property
η	[0.0003200; 0.0020282]	Pa×s	[328.59; 534.13]
η	0.0020282	Pa×s	328.59	Joback Calculated Property
η	0.0012893	Pa×s	362.85	Joback Calculated Property
η	0.0008862	Pa×s	397.10	Joback Calculated Property
η	0.0006465	Pa×s	431.36	Joback Calculated Property
η	0.0004940	Pa×s	465.62	Joback Calculated Property
η	0.0003917	Pa×s	499.87	Joback Calculated Property
η	0.0003200	Pa×s	534.13	Joback Calculated Property
ΔvapH	84.50	kJ/mol	298.15	Calorim...

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[390.00; 528.70]	K	[0.90; 98.10]
Tboilr	390.00	K	0.90	NIST
Tboilr	528.70	K	98.10	NIST
Tboilr	528.60	K	98.10	NIST

Similar Compounds

Find more compounds similar to Ethanone, 1-(4-bromophenyl)-.

Sources

• Crippen Method
• Crippen Method
• Calorimetric study of bromoacetophenone isomers
• Joback Method
• McGowan Method
• NIST Webbook

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