Chemical Properties of Hexane, 2-methyl-4-methylene- (CAS 3404-80-6)

InChI

InChI=1S/C8H16/c1-5-8(4)6-7(2)3/h7H,4-6H2,1-3H3

InChI Key

TVBQWTDYXVGWJL-UHFFFAOYSA-N

Formula

C8H16

SMILES

C=C(CC)CC(C)C

Molecular Weight¹

112.21

CAS

3404-80-6

Other Names

• 1-Pentene, 2-ethyl-4-methyl
• 2-Ethyl-4-methyl-1-pentene
• 2-Ethyl-4-methylpent-1-ene

• ω : Acentric Factor.
• 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_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2997		Relay (1.0) Calculated Property
ΔfH°gas	-102.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.36	kJ/mol	Joback Calculated Property
ΔvapH°	38.50	kJ/mol	NIST
IE	8.94	eV	Relay (1.0) Calculated Property
logPoct/wat	2.999		Crippen Calculated Property
McVol	119.280	ml/mol	McGowan Calculated Property
Pc	2681.86	kPa	Joback Calculated Property
Inp	[731.20; 746.00]
Inp	745.70		NIST
Inp	731.20		NIST
Inp	737.00		NIST
Inp	746.00		NIST
Inp	745.70		NIST
Tboil	375.84	K	Relay (1.0) Calculated Property
Tc	553.81	K	Relay (1.0) Calculated Property
Tfus	145.77	K	Relay (1.0) Calculated Property
Vc	0.445	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, 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	[165.22; 403.81]	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			-8.74800e+00
Coefficient B			7.49660e-01
Coefficient C			-4.39800e-04
Coefficient D			1.02700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	165.22	J/mol×K	273.00	Calculated Property
Cp,gas	205.97	J/mol×K	353.78	Calculated Property
Cp,gas	242.40	J/mol×K	434.56	Calculated Property
Cp,gas	274.83	J/mol×K	515.33	Calculated Property
Cp,gas	303.61	J/mol×K	596.11	Calculated Property
Cp,gas	329.03	J/mol×K	676.89	Calculated Property
Cp,gas	351.44	J/mol×K	757.67	Calculated Property
Cp,gas	371.16	J/mol×K	838.44	Calculated Property
Cp,gas	388.51	J/mol×K	919.22	Calculated Property
Cp,gas	403.81	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Hexane, 2-methyl-4-methylene-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• 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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