Chemical Properties of Acetophenone, 4'-hydroxy- (CAS 99-93-4)

InChI

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

InChI Key

TXFPEBPIARQUIG-UHFFFAOYSA-N

Formula

C8H8O2

SMILES

CC(=O)c1ccc(O)cc1

Molecular Weight¹

136.15

CAS

99-93-4

Other Names

• 1-(4-Hydroxyphenyl)ethanone
• 4'-hydroxyacetophenone
• 4-Hydroksyacetofenol
• 4-acetylphenol
• 4-hydroxyacetophenone
• 4-hydroxyphenyl methyl ketone
• Acetophenone, p-hydroxy-
• Ethanone, 1-(4-hydroxyphenyl)-
• Hydroxyacetophenone, para
• Methyl p-hydroxyphenyl ketone
• NSC 3698
• Phenol, p-acetyl-
• Piceol
• USAF KF-15
• p-Acetylphenol
• p-Hydroxyacetophenone
• p-Hydroxyphenyl methyl ketone
• p-Oxyacetophenone
• para-Hydroxyacetophenone
• phenol, 4-acetyl-

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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).
• 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 a given temperature (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
PAff	883.70	kJ/mol	NIST
BasG	851.90	kJ/mol	NIST
ΔcH°solid	-3927.10 ± 4.20	kJ/mol	NIST
ΔfG°	-154.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-261.81	kJ/mol	Joback Calculated Property
ΔfusH°	17.03	kJ/mol	Solid l...
ΔvapH°	55.44	kJ/mol	Joback Calculated Property
IE	8.70 ± 0.03	eV	NIST
log10WS	-1.68		Crippen 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	[1442.00; 1490.70]
Inp	1490.70		NIST
Inp	1442.00		NIST
Inp	1447.00		NIST
I	[1779.00; 1790.00]
I	1786.00		NIST
I	1790.00		NIST
I	1779.00		NIST
I	1790.00		NIST
Tboil	543.61	K	Joback Calculated Property
Tc	779.06	K	Joback Calculated Property
Tfus	[311.00; 383.00]	K
Tfus	311.00 ± 3.00	K	NIST
Tfus	383.00 ± 2.00	K	NIST
Tfus	379.65 ± 2.00	K	NIST
Vc	0.347	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[237.80; 289.93]	J/mol×K	[543.61; 779.06]
Cp,gas	237.80	J/mol×K	543.61	Joback Calculated Property
Cp,gas	248.30	J/mol×K	582.85	Joback Calculated Property
Cp,gas	257.96	J/mol×K	622.09	Joback Calculated Property
Cp,gas	266.87	J/mol×K	661.33	Joback Calculated Property
Cp,gas	275.11	J/mol×K	700.57	Joback Calculated Property
Cp,gas	282.77	J/mol×K	739.81	Joback Calculated Property
Cp,gas	289.93	J/mol×K	779.06	Joback Calculated Property
η	[0.0000704; 0.0020779]	Pa×s	[367.99; 543.61]
η	0.0020779	Pa×s	367.99	Joback Calculated Property
η	0.0009601	Pa×s	397.26	Joback Calculated Property
η	0.0004932	Pa×s	426.53	Joback Calculated Property
η	0.0002760	Pa×s	455.80	Joback Calculated Property
η	0.0001656	Pa×s	485.07	Joback Calculated Property
η	0.0001054	Pa×s	514.34	Joback Calculated Property
η	0.0000704	Pa×s	543.61	Joback Calculated Property
ΔfusH	[17.00; 18.08]	kJ/mol	[381.30; 382.80]
ΔfusH	17.00	kJ/mol	381.30	NIST
ΔfusH	18.08	kJ/mol	382.80	NIST
ΔsubH	95.70	kJ/mol	334.50	NIST

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Acetophenone, 4'-hydroxy-.

Mixtures

• Acetophenone, 4'-hydroxy- + Acetamide, N-phenyl-
• Acetophenone, 4'-hydroxy- + Water

Sources

• Crippen Method
• Crippen Method
• Solid liquid equilibria for binary mixtures of N-phenylacetamide with 4-aminoacetophenone, 3-hydroxyacetophenone and 4-hydroxyacetophenone
• Solubility of ortho/para-Hydroxyacetophenones in Aqueous Solutions of Sodium Alkyl Benzene Sulfonate Hydrotropes
• Joback Method
• McGowan Method
• NIST Webbook

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