Chemical Properties of 2-Propanone, 1-(4-hydroxy-3-methoxyphenyl)- (CAS 2503-46-0)

InChI

InChI=1S/C10H12O3/c1-7(11)5-8-3-4-9(12)10(6-8)13-2/h3-4,6,12H,5H2,1-2H3

InChI Key

LFVCJQWZGDLHSD-UHFFFAOYSA-N

Formula

C10H12O3

SMILES

COc1cc(CC(C)=O)ccc1O

Molecular Weight¹

180.20

CAS

2503-46-0

Other Names

• Guaiacylacetone
• Vanillyl methyl ketone
• 4-Hydroxy-3-methoxyphenyl acetone
• 2-Propanone, (4-hydroxy-3-methoxyphenyl)-
• Methyl vanillyl ketone
• 1-(4-Hydroxy-3-methoxy-phenyl)-propan-2-one
• 1-(4-hydroxy-3-methoxyphenyl)-2-propanone
• 2-Propiovanillone
• 4-Hydroxy-3-methoxyphenylpropan-2-one
• Vanilloylmethyl ketone
• 1-(4-Hydroxy-3-methoxyphenyl)-2-propanone (guaiacylacetone)
• 1-(4-hydroxy-3-methoxyphenyl)acetone

• 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).
• 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_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°	-252.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-446.78	kJ/mol	Joback Calculated Property
ΔfusH°	23.88	kJ/mol	Joback Calculated Property
ΔvapH°	62.96	kJ/mol	Joback Calculated Property
log10WS	-1.64		Crippen Calculated Property
logPoct/wat	1.532		Crippen Calculated Property
McVol	141.310	ml/mol	McGowan Calculated Property
Pc	3598.56	kPa	Joback Calculated Property
Inp	[259.06; 1541.00]
Inp	1531.70		NIST
Inp	1541.00		NIST
Inp	1484.00		NIST
Inp	1478.00		NIST
Inp	1536.00		NIST
Inp	1513.00		NIST
Inp	1488.00		NIST
Inp	Outlier 259.06		NIST
Inp	1541.00		NIST
Inp	1531.70		NIST
I	[2800.00; 2800.00]
I	2800.00		NIST
I	2800.00		NIST
I	2800.00		NIST
I	2800.00		NIST
I	2800.00		NIST
I	2800.00		NIST
Tboil	616.77	K	Joback Calculated Property
Tc	841.17	K	Joback Calculated Property
Tfus	425.28	K	Joback Calculated Property
Vc	0.477	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[349.42; 410.79]	J/mol×K	[616.77; 841.17]
Cp,gas	349.42	J/mol×K	616.77	Joback Calculated Property
Cp,gas	361.30	J/mol×K	654.17	Joback Calculated Property
Cp,gas	372.44	J/mol×K	691.57	Joback Calculated Property
Cp,gas	382.91	J/mol×K	728.97	Joback Calculated Property
Cp,gas	392.75	J/mol×K	766.37	Joback Calculated Property
Cp,gas	402.02	J/mol×K	803.77	Joback Calculated Property
Cp,gas	410.79	J/mol×K	841.17	Joback Calculated Property
η	[0.0000307; 0.0006184]	Pa×s	[425.28; 616.77]
η	0.0006184	Pa×s	425.28	Joback Calculated Property
η	0.0003147	Pa×s	457.19	Joback Calculated Property
η	0.0001749	Pa×s	489.11	Joback Calculated Property
η	0.0001045	Pa×s	521.02	Joback Calculated Property
η	0.0000662	Pa×s	552.94	Joback Calculated Property
η	0.0000441	Pa×s	584.86	Joback Calculated Property
η	0.0000307	Pa×s	616.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Propanone, 1-(4-hydroxy-3-methoxyphenyl)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.