Chemical Properties of Ethanone, 2-bromo-1-phenyl- (CAS 70-11-1)

InChI

InChI=1S/C8H7BrO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2

InChI Key

LIGACIXOYTUXAW-UHFFFAOYSA-N

Formula

C8H7BrO

SMILES

O=C(CBr)c1ccccc1

Molecular Weight¹

199.04

CAS

70-11-1

Other Names

• .alpha.-bromoacetophenone
• 1-Phenyl-2-bromoethanone
• 2-Bromo-1-phenylethanone
• 2-bromoacetophenone
• Acetophenone, 2-bromo-
• Benzoylmethyl bromide
• Bromoacetophenone
• Bromomethyl phenyl ketone
• NSC 9807
• Stauffer 4644
• UN 2645
• phenacyl bromide
• «alpha»-Bromoacetophenone
• «omega»-Bromacetophenone
• «omega»-Bromoacetophenone

• 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.
• 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
ΔfG°	14.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-58.17	kJ/mol	Joback Calculated Property
ΔfusH°	17.40	kJ/mol	Joback Calculated Property
ΔvapH°	48.86	kJ/mol	Joback Calculated Property
IE	9.60	eV	NIST
log10WS	-2.56		Crippen Calculated Property
logPoct/wat	2.264		Crippen Calculated Property
McVol	118.890	ml/mol	McGowan Calculated Property
Pc	4311.22	kPa	Joback Calculated Property
Inp	[1304.00; 1321.00]
Inp	1304.00		NIST
Inp	1321.00		NIST
I	1971.00		NIST
Tboil	529.15	K	Joback Calculated Property
Tc	767.60	K	Joback Calculated Property
Tfus	[324.00; 324.00]	K
Tfus	324.00	K	NIST
Tfus	324.00 ± 1.00	K	NIST
Vc	0.444	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[226.33; 279.84]	J/mol×K	[529.15; 767.60]
Cp,gas	226.33	J/mol×K	529.15	Joback Calculated Property
Cp,gas	237.17	J/mol×K	568.89	Joback Calculated Property
Cp,gas	247.18	J/mol×K	608.63	Joback Calculated Property
Cp,gas	256.40	J/mol×K	648.37	Joback Calculated Property
Cp,gas	264.89	J/mol×K	688.12	Joback Calculated Property
Cp,gas	272.68	J/mol×K	727.86	Joback Calculated Property
Cp,gas	279.84	J/mol×K	767.60	Joback Calculated Property
η	[0.0003299; 0.0026258]	Pa×s	[316.07; 529.15]
η	0.0026258	Pa×s	316.07	Joback Calculated Property
η	0.0015606	Pa×s	351.58	Joback Calculated Property
η	0.0010205	Pa×s	387.10	Joback Calculated Property
η	0.0007166	Pa×s	422.61	Joback Calculated Property
η	0.0005316	Pa×s	458.12	Joback Calculated Property
η	0.0004117	Pa×s	493.64	Joback Calculated Property
η	0.0003299	Pa×s	529.15	Joback Calculated Property
ΔvapH	90.90	kJ/mol	298.15	Calorim...

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[408.00; 408.20]	K	[2.40; 2.40]
Tboilr	408.20	K	2.40	NIST
Tboilr	408.00	K	2.40	NIST

Similar Compounds

Find more compounds similar to Ethanone, 2-bromo-1-phenyl-.

Sources

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

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