Chemical Properties of 2-Pentene, 3-ethyl-4,4-dimethyl- (CAS 53907-59-8)

InChI

InChI=1S/C9H18/c1-6-8(7-2)9(3,4)5/h6H,7H2,1-5H3/b8-6+

InChI Key

MNQIWYOURGVWDV-SOFGYWHQSA-N

Formula

C9H18

SMILES

CC=C(CC)C(C)(C)C

Molecular Weight¹

126.24

CAS

53907-59-8

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[181.10; 454.26]	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			-4.36390e+01
Coefficient B			1.00460e+00
Coefficient C			-7.23700e-04
Coefficient D			2.17000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	181.10	J/mol×K	273.00	Calculated Property
Cp,gas	230.80	J/mol×K	353.78	Calculated Property
Cp,gas	274.06	J/mol×K	434.56	Calculated Property
Cp,gas	311.57	J/mol×K	515.33	Calculated Property
Cp,gas	344.02	J/mol×K	596.11	Calculated Property
Cp,gas	372.08	J/mol×K	676.89	Calculated Property
Cp,gas	396.45	J/mol×K	757.67	Calculated Property
Cp,gas	417.81	J/mol×K	838.44	Calculated Property
Cp,gas	436.85	J/mol×K	919.22	Calculated Property
Cp,gas	454.26	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Pentene, 3-ethyl-4,4-dimethyl-.

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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