Chemical Properties of Ethanone, 1-(2-hydroxyphenyl)- (CAS 118-93-4)

InChI

InChI=1S/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3

InChI Key

JECYUBVRTQDVAT-UHFFFAOYSA-N

Formula

C8H8O2

SMILES

CC(=O)c1ccccc1O

Molecular Weight¹

136.15

CAS

118-93-4

Other Names

• 1-(2-hydroxyphenyl)ethanone
• 2'-hydroxyacetophenone
• 2-Hydroxyacetylbenzene
• 2-acetylphenol
• 2-hydroxyphenyl methyl ketone
• Acetophenone, o-hydroxy-
• Methyl 2-hydroxyphenyl ketone
• NSC 16933
• USAF KE-20
• acetophenone, 2'-hydroxy-
• o-Acetylphenol
• o-Hydroxyacetophenone
• o-Hydroxyphenyl methyl ketone
• phenol, 2-acetyl-

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• EA : Electron affinity (eV).
• 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).
• 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
ω	0.5648		Relay (1.0) Calculated Property
ΔcH°solid	-3933.80 ± 3.80	kJ/mol	NIST
EA	0.85 ± 0.05	eV	NIST
ΔfG°	-154.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-292.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.90	kJ/mol	Joback Calculated Property
ΔvapH°	58.30 ± 0.30	kJ/mol	NIST
IE	8.47	eV	Relay (1.0) Calculated Property
log10WS	-1.39		Relay (1.0) Calculated Property
logPoct/wat	1.595		Crippen Calculated Property
McVol	107.260	ml/mol	McGowan Calculated Property
Pc	4802.50	kPa	Joback Calculated Property
Inp	[1124.00; 1167.00]
Inp	1135.60		NIST
Inp	1139.10		NIST
Inp	1152.50		NIST
Inp	1162.70		NIST
Inp	1158.00		NIST
Inp	1140.00		NIST
Inp	1144.00		NIST
Inp	1124.00		NIST
Inp	1167.00		NIST
Inp	1165.00		NIST
Inp	1140.00		NIST
Inp	1136.00		NIST
Inp	1140.00		NIST
Inp	1135.60		NIST
I	[1709.00; 1747.00]
I	1709.00		NIST
I	1714.00		NIST
I	Outlier 1747.00		NIST
I	1709.00		NIST
I	1714.00		NIST
I	1709.00		NIST
Tboil	491.20	K	NIST
Tc	760.88	K	Relay (1.0) Calculated Property
Tfus	301.15 ± 1.00	K	NIST
Vc	0.372	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[379.20; 486.20]	K	[2.30; 95.60]
Tboilr	379.20	K	2.30	NIST
Tboilr	486.20	K	95.60	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[135.75; 324.97]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.98500e+01
Coefficient B			8.11520e-01
Coefficient C			-6.80260e-04
Coefficient D			2.33560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	135.75	J/mol×K	273.00	Calculated Property
Cp,gas	172.45	J/mol×K	353.78	Calculated Property
Cp,gas	203.51	J/mol×K	434.56	Calculated Property
Cp,gas	229.66	J/mol×K	515.33	Calculated Property
Cp,gas	251.65	J/mol×K	596.11	Calculated Property
Cp,gas	270.21	J/mol×K	676.89	Calculated Property
Cp,gas	286.09	J/mol×K	757.67	Calculated Property
Cp,gas	300.01	J/mol×K	838.44	Calculated Property
Cp,gas	312.73	J/mol×K	919.22	Calculated Property
Cp,gas	324.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0212664; 0.0000686]	Pa×s	[301.15; 545.54]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.66552e+01
Coefficient B			3.85611e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			301.15
Temperature range, max.			545.54
η	0.0212664	Pa×s	301.15	Calculated Property
η	0.0073746	Pa×s	328.30	Calculated Property
η	0.0030065	Pa×s	355.46	Calculated Property
η	0.0013922	Pa×s	382.61	Calculated Property
η	0.0007139	Pa×s	409.77	Calculated Property
η	0.0003978	Pa×s	436.92	Calculated Property
η	0.0002373	Pa×s	464.08	Calculated Property
η	0.0001499	Pa×s	491.23	Calculated Property
η	0.0000994	Pa×s	518.38	Calculated Property
η	0.0000686	Pa×s	545.54	Calculated Property

Similar Compounds

Find more compounds similar to Ethanone, 1-(2-hydroxyphenyl)-.

Mixtures

• Ethanone, 1-(2-hydroxyphenyl)- + Water

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Analysis of solute-pyridine intermolecular interactions based on experimental enthalpies of solution and enthalpies of solvation of solutes dissolved in pyridine
• Solubility of ortho/para-Hydroxyacetophenones in Aqueous Solutions of Sodium Alkyl Benzene Sulfonate Hydrotropes
• Henry s Law Constants of Some Aromatic Aldehydes and Ketones Measured by an Internal Standard Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
These property values are available through the Cheméo API. A free account gives you an access key.