Chemical Properties of 1-Propanone, 2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-

InChI

InChI=1S/C12H16O4/c1-12(2,15)11(14)9-3-5-10(6-4-9)16-8-7-13/h3-6,13,15H,7-8H2,1-2H3

InChI Key

GJKGAPPUXSSCFI-UHFFFAOYSA-N

Formula

C12H16O4

SMILES

CC(C)(O)C(=O)c1ccc(OCCO)cc1

Molecular Weight¹

224.26

Other Names

• 1-[4-(2-Hydroxyethoxy)phenyl]-2-hydroxy-2-methyl-1-propan-1-one
• 1-[4-(2-Hydroxyethoxy)phenyl]-2-hydroxy-2-methyl-1-propanone
• 2-Hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-1-propanone
• 2-Hydroxy-4'-(2-hydroxyethoxy)-2-methylpropiophenone
• 2-hydroxy-4-hydroxyethoxy-2-methylpropiophenone
• 4-(2-Hydroxyethoxy)phenyl 2-hydroxy-2-propyl ketone
• D 2959
• DC 2959
• Darocur 2595
• Darocur 2959
• I 2959
• IRG 2959
• IRGC 2959
• Irgacure 2959
• Irgacure 2959 (2-Hydroxy-1-[4-(2-hydroxyethoxy) phenyl]-2-methyl-1-propanone)
• UV 2959
• ZLI 2959

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[245.21; 563.18]	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			-8.65800e+00
Coefficient B			1.10804e+00
Coefficient C			-6.96060e-04
Coefficient D			1.59860e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	245.21	J/mol×K	273.00	Calculated Property
Cp,gas	303.30	J/mol×K	353.78	Calculated Property
Cp,gas	354.52	J/mol×K	434.56	Calculated Property
Cp,gas	399.38	J/mol×K	515.33	Calculated Property
Cp,gas	438.38	J/mol×K	596.11	Calculated Property
Cp,gas	472.02	J/mol×K	676.89	Calculated Property
Cp,gas	500.82	J/mol×K	757.67	Calculated Property
Cp,gas	525.27	J/mol×K	838.44	Calculated Property
Cp,gas	545.89	J/mol×K	919.22	Calculated Property
Cp,gas	563.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007004; 0.0000166]	Pa×s	[460.16; 671.47]	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			-1.91522e+01
Coefficient B			5.47052e+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.			460.16
Temperature range, max.			671.47
η	0.0007004	Pa×s	460.16	Calculated Property
η	0.0003933	Pa×s	483.64	Calculated Property
η	0.0002329	Pa×s	507.12	Calculated Property
η	0.0001445	Pa×s	530.60	Calculated Property
η	0.0000934	Pa×s	554.08	Calculated Property
η	0.0000625	Pa×s	577.56	Calculated Property
η	0.0000432	Pa×s	601.04	Calculated Property
η	0.0000307	Pa×s	624.51	Calculated Property
η	0.0000223	Pa×s	647.99	Calculated Property
η	0.0000166	Pa×s	671.47	Calculated Property

Similar Compounds

Find more compounds similar to 1-Propanone, 2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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