Chemical Properties of 6,8-NONADIEN-2-ONE, 6-METHYL-5-(1-METHYLETHYLIDENE)-

InChI

InChI=1S/C13H20O/c1-6-7-11(4)13(10(2)3)9-8-12(5)14/h6-7H,1,8-9H2,2-5H3/b11-7+

InChI Key

KUZCXMAGIONJAL-YRNVUSSQSA-N

Formula

C13H20O

SMILES

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

Molecular Weight¹

192.30

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I_p : 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°	26.22	kJ/mol	Joback Calculated Property
IE	7.84	eV	Relay (1.0) Calculated Property
logPoct/wat	3.824		Crippen Calculated Property
McVol	182.700	ml/mol	McGowan Calculated Property
Inp	[1389.00; 1389.00]
Inp	1389.00		NIST
Inp	1389.00		NIST
Ip	[1767.00; 1767.00]
Ip	1767.00		NIST
Ip	1767.00		NIST
Tboil	524.50	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, Enthalpy of vaporization 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	[244.83; 588.54]	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			-3.19980e+01
Coefficient B			1.23058e+00
Coefficient C			-8.62100e-04
Coefficient D			2.52060e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	244.83	J/mol×K	273.00	Calculated Property
Cp,gas	306.62	J/mol×K	353.78	Calculated Property
Cp,gas	360.64	J/mol×K	434.56	Calculated Property
Cp,gas	407.71	J/mol×K	515.33	Calculated Property
Cp,gas	448.61	J/mol×K	596.11	Calculated Property
Cp,gas	484.15	J/mol×K	676.89	Calculated Property
Cp,gas	515.11	J/mol×K	757.67	Calculated Property
Cp,gas	542.30	J/mol×K	838.44	Calculated Property
Cp,gas	566.51	J/mol×K	919.22	Calculated Property
Cp,gas	588.54	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 6,8-NONADIEN-2-ONE, 6-METHYL-5-(1-METHYLETHYLIDENE)-.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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