Chemical Properties of 2-Propanone, 1-hydroxy-

InChI

InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3

InChI Key

XLSMFKSTNGKWQX-UHFFFAOYSA-N

Formula

C3H6O2

SMILES

CC(=O)CO

Molecular Weight¹

74.08

Other Names

• 1-Hydroxypropan-2-one
• 1-hydroxy-2-propanone
• Acetone alcohol
• Acetylcarbinol
• CH3C(O)CH2OH
• Hydroxypropan-2-one
• Methanol, acetyl-
• acetol
• hydroxyacetone
• hydroxyacetone (acetol)
• hydroxypropanone

• ω : Acentric Factor.
• 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).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I_p : 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
ω	0.5766		Relay (1.0) Calculated Property
ΔfG°	-291.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-363.05	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.21	kJ/mol	Joback Calculated Property
ΔvapH°	54.05	kJ/mol	Relay (1.0) Calculated Property
IE	10.00 ± 0.10	eV	NIST
log10WS	1.05		Relay (1.0) Calculated Property
logPoct/wat	-0.432		Crippen Calculated Property
McVol	60.570	ml/mol	McGowan Calculated Property
Pc	5478.85	kPa	Joback Calculated Property
Inp	[620.00; 713.00]
Inp	652.00		NIST
Inp	652.00		NIST
Inp	662.00		NIST
Inp	666.00		NIST
Inp	674.00		NIST
Inp	681.00		NIST
Inp	625.00		NIST
Inp	655.00		NIST
Inp	694.00		NIST
Inp	632.00		NIST
Inp	631.00		NIST
Inp	668.00		NIST
Inp	668.00		NIST
Inp	620.00		NIST
Inp	660.00		NIST
Inp	625.00		NIST
Inp	640.00		NIST
Inp	698.00		NIST
Inp	Outlier 713.00		NIST
Inp	688.00		NIST
Inp	658.00		NIST
Inp	658.00		NIST
Inp	674.00		NIST
Inp	663.00		NIST
Inp	666.00		NIST
Inp	664.00		NIST
Inp	698.00		NIST
Inp	674.00		NIST
Inp	655.00		NIST
Inp	668.00		NIST
Inp	625.00		NIST
Ip	[1266.00; 1340.00]
Ip	Outlier 1266.00		NIST
Ip	1277.00		NIST
Ip	1284.00		NIST
Ip	1290.00		NIST
Ip	1275.00		NIST
Ip	1318.00		NIST
Ip	1318.00		NIST
Ip	1303.00		NIST
Ip	1296.00		NIST
Ip	1303.00		NIST
Ip	1305.00		NIST
Ip	1304.00		NIST
Ip	1317.00		NIST
Ip	1289.00		NIST
Ip	1278.00		NIST
Ip	1304.00		NIST
Ip	1303.00		NIST
Ip	1321.00		NIST
Ip	1310.00		NIST
Ip	1315.00		NIST
Ip	1326.00		NIST
Ip	1321.00		NIST
Ip	1319.00		NIST
Ip	1312.00		NIST
Ip	1306.00		NIST
Ip	1298.00		NIST
Ip	1274.00		NIST
Ip	1297.00		NIST
Ip	Outlier 1340.00		NIST
Ip	1315.00		NIST
Ip	1318.00		NIST
Ip	1307.00		NIST
Ip	1313.00		NIST
Ip	1295.00		NIST
Ip	1296.00		NIST
Ip	1315.00		NIST
Ip	1326.00		NIST
Ip	1268.00		NIST
Ip	1323.00		NIST
Ip	1323.00		NIST
Ip	1323.00		NIST
Ip	1284.00		NIST
Ip	1295.00		NIST
Ip	1295.00		NIST
Ip	1298.00		NIST
Ip	1272.00		NIST
Ip	1272.00		NIST
Ip	1272.00		NIST
Ip	1300.00		NIST
Ip	1295.00		NIST
Ip	1300.00		NIST
Ip	1268.00		NIST
Ip	1300.00		NIST
Ip	1323.00		NIST
Ip	1301.00		NIST
Ip	1308.00		NIST
Ip	1290.00		NIST
Ip	1296.00		NIST
Ip	1289.00		NIST
Ip	1295.00		NIST
Ip	1301.00		NIST
Ip	1315.00		NIST
Ip	1306.00		NIST
Ip	1323.00		NIST
Ip	1298.00		NIST
Tboil	418.70	K	NIST
Tc	642.40	K	Relay (1.0) Calculated Property
Tfus	256.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.217	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	42.00 ± 3.00	kJ/mol	326.00	NIST
Pvap	[0.13; 0.82]	kPa	[273.22; 303.95]
Pvap	0.13	kPa	273.22	Vapor Pressure Measurements of Hydroxyacetaldehyde and Hydroxyacetone in the Temperature Range (273 to 356) K
Pvap	0.14	kPa	275.48	Vapor Pressure Measurements of Hydroxyacetaldehyde and Hydroxyacetone in the Temperature Range (273 to 356) K
Pvap	0.16	kPa	277.78	Vapor Pressure Measurements of Hydroxyacetaldehyde and Hydroxyacetone in the Temperature Range (273 to 356) K
Pvap	0.17	kPa	278.55	Vapor Pressure Measurements of Hydroxyacetaldehyde and Hydroxyacetone in the Temperature Range (273 to 356) K
Pvap	0.17	kPa	278.55	Vapor Pressure Measurements of Hydroxyacetaldehyde and Hydroxyacetone in the Temperature Range (273 to 356) K
Pvap	0.20	kPa	280.90	Vapor Pressure Measurements of Hydroxyacetaldehyde and Hydroxyacetone in the Temperature Range (273 to 356) K
Pvap	0.20	kPa	281.69	Vapor Pressure Measurements of Hydroxyacetaldehyde and Hydroxyacetone in the Temperature Range (273 to 356) K
Pvap	0.21	kPa	281.69	Vapor Pressure Measurements of Hydroxyacetaldehyde and Hydroxyacetone in the Temperature Range (273 to 356) K
Pvap	0.36	kPa	289.86	Vapor Pressure Measurements of Hydroxyacetaldehyde and Hydroxyacetone in the Temperature Range (273 to 356) K
Pvap	0.36	kPa	290.70	Vapor Pressure Measurements of Hydroxyacetaldehyde and Hydroxyacetone in the Temperature Range (273 to 356) K
Pvap	0.36	kPa	290.70	Vapor Pressure Measurements of Hydroxyacetaldehyde and Hydroxyacetone in the Temperature Range (273 to 356) K
Pvap	0.36	kPa	290.70	Vapor Pressure Measurements of Hydroxyacetaldehyde and Hydroxyacetone in the Temperature Range (273 to 356) K
Pvap	0.43	kPa	293.26	Vapor Pressure Measurements of Hydroxyacetaldehyde and Hydroxyacetone in the Temperature Range (273 to 356) K
Pvap	0.52	kPa	295.86	Vapor Pressure Measurements of Hydroxyacetaldehyde and Hydroxyacetone in the Temperature Range (273 to 356) K
Pvap	0.49	kPa	295.86	Vapor Pressure Measurements of Hydroxyacetaldehyde and Hydroxyacetone in the Temperature Range (273 to 356) K
Pvap	0.53	kPa	296.74	Vapor Pressure Measurements of Hydroxyacetaldehyde and Hydroxyacetone in the Temperature Range (273 to 356) K
Pvap	0.62	kPa	300.30	Vapor Pressure Measurements of Hydroxyacetaldehyde and Hydroxyacetone in the Temperature Range (273 to 356) K
Pvap	0.64	kPa	301.20	Vapor Pressure Measurements of Hydroxyacetaldehyde and Hydroxyacetone in the Temperature Range (273 to 356) K
Pvap	0.72	kPa	302.11	Vapor Pressure Measurements of Hydroxyacetaldehyde and Hydroxyacetone in the Temperature Range (273 to 356) K
Pvap	0.75	kPa	303.03	Vapor Pressure Measurements of Hydroxyacetaldehyde and Hydroxyacetone in the Temperature Range (273 to 356) K
Pvap	0.82	kPa	303.95	Vapor Pressure Measurements of Hydroxyacetaldehyde and Hydroxyacetone in the Temperature Range (273 to 356) K
n0	1.42620		293.15	Liquid-liquid equilibria of water + solutes (acetic acid/ acetol/furfural/guaiacol/methanol/phenol/propanal) + solvents (isopropyl acetate/toluene) ternary systems for pyrolysis oil fractionation
ρl	[1036.62; 1080.13]	kg/m3	[293.15; 333.15]
ρl	1080.13	kg/m3	293.15	Liquid-liquid equilibria and COSMO-SAC modeling of organic solvent/ ionic liquid - hydroxyacetone - water mixtures
ρl	1074.92	kg/m3	298.15	Liquid-liquid equilibria and COSMO-SAC modeling of organic solvent/ ionic liquid - hydroxyacetone - water mixtures
ρl	1069.67	kg/m3	303.15	Liquid-liquid equilibria and COSMO-SAC modeling of organic solvent/ ionic liquid - hydroxyacetone - water mixtures
ρl	1064.31	kg/m3	308.15	Liquid-liquid equilibria and COSMO-SAC modeling of organic solvent/ ionic liquid - hydroxyacetone - water mixtures
ρl	1058.71	kg/m3	313.15	Liquid-liquid equilibria and COSMO-SAC modeling of organic solvent/ ionic liquid - hydroxyacetone - water mixtures
ρl	1053.13	kg/m3	318.15	Liquid-liquid equilibria and COSMO-SAC modeling of organic solvent/ ionic liquid - hydroxyacetone - water mixtures
ρl	1047.55	kg/m3	323.15	Liquid-liquid equilibria and COSMO-SAC modeling of organic solvent/ ionic liquid - hydroxyacetone - water mixtures
ρl	1042.01	kg/m3	328.15	Liquid-liquid equilibria and COSMO-SAC modeling of organic solvent/ ionic liquid - hydroxyacetone - water mixtures
ρl	1036.62	kg/m3	333.15	Liquid-liquid equilibria and COSMO-SAC modeling of organic solvent/ ionic liquid - hydroxyacetone - water mixtures

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[82.55; 181.79]	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			1.28110e+01
Coefficient B			2.94820e-01
Coefficient C			-1.51100e-04
Coefficient D			2.52600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	82.55	J/mol×K	273.00	Calculated Property
Cp,gas	99.32	J/mol×K	353.78	Calculated Property
Cp,gas	114.47	J/mol×K	434.56	Calculated Property
Cp,gas	128.07	J/mol×K	515.33	Calculated Property
Cp,gas	140.21	J/mol×K	596.11	Calculated Property
Cp,gas	150.97	J/mol×K	676.89	Calculated Property
Cp,gas	160.43	J/mol×K	757.67	Calculated Property
Cp,gas	168.67	J/mol×K	838.44	Calculated Property
Cp,gas	175.76	J/mol×K	919.22	Calculated Property
Cp,gas	181.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0145117; 0.0003290]	Pa×s	[256.15; 412.54]	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			-1.42219e+01
Coefficient B			2.55870e+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.			256.15
Temperature range, max.			412.54
η	0.0145117	Pa×s	256.15	Calculated Property
η	0.0076934	Pa×s	273.53	Calculated Property
η	0.0043999	Pa×s	290.90	Calculated Property
η	0.0026800	Pa×s	308.28	Calculated Property
η	0.0017210	Pa×s	325.66	Calculated Property
η	0.0011559	Pa×s	343.03	Calculated Property
η	0.0008068	Pa×s	360.41	Calculated Property
η	0.0005820	Pa×s	377.79	Calculated Property
η	0.0004321	Pa×s	395.16	Calculated Property
η	0.0003290	Pa×s	412.54	Calculated Property

Similar Compounds

Find more compounds similar to 2-Propanone, 1-hydroxy-.

Mixtures

• Trichloromethane + 2-Propanone, 1-hydroxy- + Water
• 2-Propanone, 1-hydroxy- + Ethyl Acetate + Water
• 2-Propanone, 1-hydroxy- + Acetic acid, propyl ester + Water
• Acetic acid, butyl ester + 2-Propanone, 1-hydroxy- + Water
• Toluene + 2-Propanone, 1-hydroxy- + Water
• 2-Propanone, 1-hydroxy- + Isopropyl acetate + Water

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Liquid-liquid equilibria and COSMO-SAC modeling of organic solvent/ ionic liquid - hydroxyacetone - water mixtures
• Liquid-liquid equilibria of water + solutes (acetic acid/ acetol/furfural/guaiacol/methanol/phenol/propanal) + solvents (isopropyl acetate/toluene) ternary systems for pyrolysis oil fractionation
• Vapor Pressure Measurements of Hydroxyacetaldehyde and Hydroxyacetone in the Temperature Range (273 to 356) K
• Joback Method
• McGowan Method
• NIST Webbook

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