Chemical Properties of 2-hydroxy-(E)-4-octen-3-one

InChI

InChI=1S/C8H14O2/c1-3-4-5-6-8(10)7(2)9/h5-7,9H,3-4H2,1-2H3

InChI Key

UWPSVTSYXWNHHW-AATRIKPKSA-N

Formula

C8H14O2

SMILES

CCC/C=C/C(=O)C(C)O

Molecular Weight¹

142.20

• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I : 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

Property	Value	Unit	Source
ΔfusH°	18.84	kJ/mol	Joback Calculated Property
ΔvapH°	67.91	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	1.293		Crippen Calculated Property
McVol	126.720	ml/mol	McGowan Calculated Property
I	[1698.00; 1698.00]
I	1698.00		NIST
I	1698.00		NIST
Tboil	440.29	K	Relay (1.0) Calculated Property
Tfus	277.73	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[174.30; 409.70]	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			-7.59800e+00
Coefficient B			7.95740e-01
Coefficient C			-5.10100e-04
Coefficient D			1.31660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	174.30	J/mol×K	273.00	Calculated Property
Cp,gas	215.90	J/mol×K	353.78	Calculated Property
Cp,gas	252.67	J/mol×K	434.56	Calculated Property
Cp,gas	285.03	J/mol×K	515.33	Calculated Property
Cp,gas	313.38	J/mol×K	596.11	Calculated Property
Cp,gas	338.15	J/mol×K	676.89	Calculated Property
Cp,gas	359.75	J/mol×K	757.67	Calculated Property
Cp,gas	378.59	J/mol×K	838.44	Calculated Property
Cp,gas	395.11	J/mol×K	919.22	Calculated Property
Cp,gas	409.70	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0291030; 0.0001707]	Pa×s	[270.59; 498.21]	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			-1.47848e+01
Coefficient B			3.04356e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			270.59
Temperature range, max.			498.21
η	0.0291030	Pa×s	270.59	Calculated Property
η	0.0111275	Pa×s	295.88	Calculated Property
η	0.0049501	Pa×s	321.17	Calculated Property
η	0.0024785	Pa×s	346.46	Calculated Property
η	0.0013635	Pa×s	371.75	Calculated Property
η	0.0008094	Pa×s	397.04	Calculated Property
η	0.0005115	Pa×s	422.33	Calculated Property
η	0.0003404	Pa×s	447.62	Calculated Property
η	0.0002366	Pa×s	472.92	Calculated Property
η	0.0001707	Pa×s	498.21	Calculated Property

Similar Compounds

Find more compounds similar to 2-hydroxy-(E)-4-octen-3-one.

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

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.
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