Chemical Properties of (E)-4,8-Dimethylnona-1,3,7-triene (CAS 19945-61-0)

InChI

InChI=1S/C11H18/c1-5-7-11(4)9-6-8-10(2)3/h5,7-8H,1,6,9H2,2-4H3/b11-7+

InChI Key

LUKZREJJLWEWQM-YRNVUSSQSA-N

Formula

C11H18

SMILES

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

Molecular Weight¹

150.27

CAS

19945-61-0

Other Names

• (3 E)-4,8-dimethyl-1,3,7-nonatriene
• (E)-4,8-Dimethyl-1,3,7-nonatriene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	24.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.75	kJ/mol	Joback Calculated Property
ΔvapH°	53.56	kJ/mol	Relay (1.0) Calculated Property
IE	8.01	eV	Relay (1.0) Calculated Property
log10WS	-4.57		Relay (1.0) Calculated Property
logPoct/wat	3.865		Crippen Calculated Property
McVol	152.950	ml/mol	McGowan Calculated Property
Inp	[1084.00; 1118.00]
Inp	1105.00		NIST
Inp	1105.00		NIST
Inp	1118.00		NIST
Inp	1113.00		NIST
Inp	Outlier 1084.00		NIST
Inp	1105.00		NIST
Inp	1106.00		NIST
Inp	1089.00		NIST
Inp	1097.00		NIST
Inp	1116.90		NIST
Inp	1113.00		NIST
Inp	1116.00		NIST
Inp	1116.90		NIST
Inp	1105.00		NIST
Ip	[1302.00; 1314.00]
Ip	1309.00		NIST
Ip	1309.00		NIST
Ip	1311.00		NIST
Ip	1306.00		NIST
Ip	1303.00		NIST
Ip	1302.00		NIST
Ip	1303.00		NIST
Ip	1314.00		NIST
Tboil	459.25	K	Relay (1.0) Calculated Property
Tfus	201.49	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[201.32; 496.61]	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			-3.78480e+01
Coefficient B			1.06866e+00
Coefficient C			-7.69700e-04
Coefficient D			2.35500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	201.32	J/mol×K	273.00	Calculated Property
Cp,gas	254.31	J/mol×K	353.78	Calculated Property
Cp,gas	300.52	J/mol×K	434.56	Calculated Property
Cp,gas	340.69	J/mol×K	515.33	Calculated Property
Cp,gas	375.57	J/mol×K	596.11	Calculated Property
Cp,gas	405.89	J/mol×K	676.89	Calculated Property
Cp,gas	432.42	J/mol×K	757.67	Calculated Property
Cp,gas	455.88	J/mol×K	838.44	Calculated Property
Cp,gas	477.03	J/mol×K	919.22	Calculated Property
Cp,gas	496.61	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to (E)-4,8-Dimethylnona-1,3,7-triene.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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