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

InChI

InChI=1S/C9H16O2/c1-3-4-5-6-7-9(11)8(2)10/h6-8,10H,3-5H2,1-2H3

InChI Key

MLVAFNPNFAUPDG-VOTSOKGWSA-N

Formula

C9H16O2

SMILES

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

Molecular Weight¹

156.23

• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	21.43	kJ/mol	Joback Calculated Property
ΔvapH°	71.34	kJ/mol	Relay (1.0) Calculated Property
IE	9.47	eV	Relay (1.0) Calculated Property
logPoct/wat	1.683		Crippen Calculated Property
McVol	140.810	ml/mol	McGowan Calculated Property
I	[1796.00; 1796.00]
I	1796.00		NIST
I	1796.00		NIST
Tboil	458.01	K	Relay (1.0) Calculated Property
Tfus	278.07	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, 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	[195.51; 461.29]	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			-8.50700e+00
Coefficient B			8.90740e-01
Coefficient C			-5.64500e-04
Coefficient D			1.43560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	195.51	J/mol×K	273.00	Calculated Property
Cp,gas	242.32	J/mol×K	353.78	Calculated Property
Cp,gas	283.75	J/mol×K	434.56	Calculated Property
Cp,gas	320.25	J/mol×K	515.33	Calculated Property
Cp,gas	352.29	J/mol×K	596.11	Calculated Property
Cp,gas	380.31	J/mol×K	676.89	Calculated Property
Cp,gas	404.76	J/mol×K	757.67	Calculated Property
Cp,gas	426.11	J/mol×K	838.44	Calculated Property
Cp,gas	444.80	J/mol×K	919.22	Calculated Property
Cp,gas	461.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0233418; 0.0001547]	Pa×s	[281.86; 513.06]	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			-1.48897e+01
Coefficient B			3.13772e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			281.86
Temperature range, max.			513.06
η	0.0233418	Pa×s	281.86	Calculated Property
η	0.0092109	Pa×s	307.55	Calculated Property
η	0.0041950	Pa×s	333.24	Calculated Property
η	0.0021382	Pa×s	358.93	Calculated Property
η	0.0011925	Pa×s	384.62	Calculated Property
η	0.0007156	Pa×s	410.31	Calculated Property
η	0.0004560	Pa×s	436.00	Calculated Property
η	0.0003055	Pa×s	461.69	Calculated Property
η	0.0002135	Pa×s	487.37	Calculated Property
η	0.0001547	Pa×s	513.06	Calculated Property

Similar Compounds

Find more compounds similar to 2-hydroxy-(E)-4-nonen-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

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