Chemical Properties of 2-Hexanone, 6-hydroxy- (CAS 21856-89-3)

InChI

InChI=1S/C6H12O2/c1-6(8)4-2-3-5-7/h7H,2-5H2,1H3

InChI Key

UALYCKSVHDYQRP-UHFFFAOYSA-N

Formula

C6H12O2

SMILES

CC(=O)CCCCO

Molecular Weight¹

116.16

CAS

21856-89-3

Other Names

• 6-Hydroxy-hexan-2-one

• 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).
• 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).
• 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

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[146.19; 336.56]	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			1.00840e+01
Coefficient B			5.79820e-01
Coefficient C			-3.14300e-04
Coefficient D			6.09600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	146.19	J/mol×K	273.00	Calculated Property
Cp,gas	178.57	J/mol×K	353.78	Calculated Property
Cp,gas	207.70	J/mol×K	434.56	Calculated Property
Cp,gas	233.76	J/mol×K	515.33	Calculated Property
Cp,gas	256.95	J/mol×K	596.11	Calculated Property
Cp,gas	277.46	J/mol×K	676.89	Calculated Property
Cp,gas	295.48	J/mol×K	757.67	Calculated Property
Cp,gas	311.21	J/mol×K	838.44	Calculated Property
Cp,gas	324.84	J/mol×K	919.22	Calculated Property
Cp,gas	336.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0229887; 0.0002841]	Pa×s	[268.13; 458.06]	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			-1.43690e+01
Coefficient B			2.84118e+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.			268.13
Temperature range, max.			458.06
η	0.0229887	Pa×s	268.13	Calculated Property
η	0.0106109	Pa×s	289.23	Calculated Property
η	0.0054407	Pa×s	310.34	Calculated Property
η	0.0030374	Pa×s	331.44	Calculated Property
η	0.0018182	Pa×s	352.54	Calculated Property
η	0.0011534	Pa×s	373.64	Calculated Property
η	0.0007681	Pa×s	394.75	Calculated Property
η	0.0005331	Pa×s	415.85	Calculated Property
η	0.0003833	Pa×s	436.95	Calculated Property
η	0.0002841	Pa×s	458.06	Calculated Property

Similar Compounds

Find more compounds similar to 2-Hexanone, 6-hydroxy-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.