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

InChI

InChI=1S/C6H10O2/c1-3-4-6(8)5(2)7/h3-4,6,8H,1-2H3

InChI Key

SNHRCGORDKLMQV-ONEGZZNKSA-N

Formula

C6H10O2

SMILES

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

Molecular Weight¹

114.14

• 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).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	13.66	kJ/mol	Joback Calculated Property
ΔvapH°	54.97	kJ/mol	Relay (1.0) Calculated Property
IE	9.33	eV	Relay (1.0) Calculated Property
logPoct/wat	0.512		Crippen Calculated Property
McVol	98.540	ml/mol	McGowan Calculated Property
I	[1481.00; 1481.00]
I	1481.00		NIST
I	1481.00		NIST
Tboil	432.75	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[131.87; 306.52]	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			-5.78000e+00
Coefficient B			6.05740e-01
Coefficient C			-4.01300e-04
Coefficient D			1.07860e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	131.87	J/mol×K	273.00	Calculated Property
Cp,gas	163.07	J/mol×K	353.78	Calculated Property
Cp,gas	190.52	J/mol×K	434.56	Calculated Property
Cp,gas	214.57	J/mol×K	515.33	Calculated Property
Cp,gas	235.55	J/mol×K	596.11	Calculated Property
Cp,gas	253.82	J/mol×K	676.89	Calculated Property
Cp,gas	269.71	J/mol×K	757.67	Calculated Property
Cp,gas	283.56	J/mol×K	838.44	Calculated Property
Cp,gas	295.72	J/mol×K	919.22	Calculated Property
Cp,gas	306.52	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0452390; 0.0002005]	Pa×s	[248.05; 468.70]	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			-1.46065e+01
Coefficient B			2.85524e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			248.05
Temperature range, max.			468.70
η	0.0452390	Pa×s	248.05	Calculated Property
η	0.0160642	Pa×s	272.57	Calculated Property
η	0.0067674	Pa×s	297.08	Calculated Property
η	0.0032525	Pa×s	321.60	Calculated Property
η	0.0017342	Pa×s	346.12	Calculated Property
η	0.0010049	Pa×s	370.63	Calculated Property
η	0.0006231	Pa×s	395.15	Calculated Property
η	0.0004085	Pa×s	419.67	Calculated Property
η	0.0002806	Pa×s	444.18	Calculated Property
η	0.0002005	Pa×s	468.70	Calculated Property

Similar Compounds

Find more compounds similar to 3-hydroxy-(E)-4-hexen-2-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.
These property values are available through the Cheméo API. A free account gives you an access key.