Chemical Properties of 5,7,10-Trimethylundec-9-en-4,6-dione (CAS 94201-70-4)

InChI

InChI=1S/C14H24O2/c1-6-7-13(15)12(5)14(16)11(4)9-8-10(2)3/h8,11-12H,6-7,9H2,1-5H3

InChI Key

CFGSDQZJQUFHTO-UHFFFAOYSA-N

Formula

C14H24O2

SMILES

CCCC(=O)C(C)C(=O)C(C)CC=C(C)C

Molecular Weight¹

224.34

CAS

94201-70-4

Other Names

• 9-Undecen-4,6-dione, 5,7,10-trimethyl
• 5,7,10-trimethylundec-9-ene-4,6-dione

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	27.06	kJ/mol	Joback Calculated Property
logPoct/wat	3.553		Crippen Calculated Property
McVol	206.960	ml/mol	McGowan Calculated Property
Inp	[1469.00; 1493.00]
Inp	1493.00		NIST
Inp	1469.00		NIST
Inp	1493.00		NIST
I	[1869.00; 1882.00]
I	1869.00		NIST
I	1882.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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	[289.84; 689.86]	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			-1.23570e+01
Coefficient B			1.30960e+00
Coefficient C			-7.92900e-04
Coefficient D			1.85520e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	289.84	J/mol×K	273.00	Calculated Property
Cp,gas	359.93	J/mol×K	353.78	Calculated Property
Cp,gas	422.23	J/mol×K	434.56	Calculated Property
Cp,gas	477.34	J/mol×K	515.33	Calculated Property
Cp,gas	525.85	J/mol×K	596.11	Calculated Property
Cp,gas	568.34	J/mol×K	676.89	Calculated Property
Cp,gas	605.40	J/mol×K	757.67	Calculated Property
Cp,gas	637.62	J/mol×K	838.44	Calculated Property
Cp,gas	665.58	J/mol×K	919.22	Calculated Property
Cp,gas	689.86	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 5,7,10-Trimethylundec-9-en-4,6-dione.

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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