Chemical Properties of (E)-3-Ethyl-4-methylpent-2-ene (CAS 42067-49-2)

InChI

InChI=1S/C8H16/c1-5-8(6-2)7(3)4/h5,7H,6H2,1-4H3/b8-5+

InChI Key

DSTFDBMUTNIZGD-VMPITWQZSA-N

Formula

C8H16

SMILES

CC=C(CC)C(C)C

Molecular Weight¹

112.21

CAS

42067-49-2

Other Names

• 2-Pentene, 3-ethyl-4-methyl-, (E)-
• 4-Methyl-3-ethyl-trans-2-pentene

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• I_np : Non-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
ΔfH°gas	-120.95	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.84	kJ/mol	Joback Calculated Property
ΔvapH°	38.90	kJ/mol	NIST
IE	8.60	eV	Relay (1.0) Calculated Property
logPoct/wat	2.999		Crippen Calculated Property
McVol	119.280	ml/mol	McGowan Calculated Property
Inp	[757.00; 777.80]
Inp	777.80		NIST
Inp	767.50		NIST
Inp	757.00		NIST
Tboil	[387.50; 387.50]	K
Tboil	387.50 ± 1.00	K	NIST
Tboil	387.50 ± 0.60	K	NIST

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[218.02; 290.59]	J/mol×K	[386.24; 565.75]
Cp,gas	218.02	J/mol×K	386.24	Joback Calculated Property
Cp,gas	231.54	J/mol×K	416.16	Joback Calculated Property
Cp,gas	244.47	J/mol×K	446.08	Joback Calculated Property
Cp,gas	256.81	J/mol×K	476.00	Joback Calculated Property
Cp,gas	268.60	J/mol×K	505.91	Joback Calculated Property
Cp,gas	279.85	J/mol×K	535.83	Joback Calculated Property
Cp,gas	290.59	J/mol×K	565.75	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[282.56; 414.08]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.39340e+01
Coefficient B			-3.08041e+03
Coefficient C			-5.68300e+01
Temperature range, min.			282.56
Temperature range, max.			414.08
Pvap	1.33	kPa	282.56	Calculated Property
Pvap	3.06	kPa	297.17	Calculated Property
Pvap	6.37	kPa	311.79	Calculated Property
Pvap	12.27	kPa	326.40	Calculated Property
Pvap	22.08	kPa	341.01	Calculated Property
Pvap	37.51	kPa	355.63	Calculated Property
Pvap	60.66	kPa	370.24	Calculated Property
Pvap	93.99	kPa	384.85	Calculated Property
Pvap	140.29	kPa	399.47	Calculated Property
Pvap	202.64	kPa	414.08	Calculated Property

Similar Compounds

Find more compounds similar to (E)-3-Ethyl-4-methylpent-2-ene.

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
• The Yaws Handbook of Vapor Pressure

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