Chemical Properties of 1-Butene, 3-methyl-2-(1-methylethyl)

InChI

InChI=1S/C8H16/c1-6(2)8(5)7(3)4/h6-7H,5H2,1-4H3

InChI Key

GIBPFTYFAOOKOV-UHFFFAOYSA-N

Formula

C8H16

SMILES

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

Molecular Weight¹

112.22

Other Names

• 2-Isopropyl-3-methylbut-1-ene
• 3-methyl-2-(1-methylethyl)-1-butene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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	0.2589		Relay (1.0) Calculated Property
ΔfG°	90.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-106.68	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	6.84	kJ/mol	Joback Calculated Property
ΔvapH°	37.11	kJ/mol	Relay (1.0) Calculated Property
IE	8.85	eV	Relay (1.0) Calculated Property
logPoct/wat	2.855		Crippen Calculated Property
McVol	119.280	ml/mol	McGowan Calculated Property
Pc	2704.22	kPa	Joback Calculated Property
Inp	[708.50; 721.00]
Inp	720.30		NIST
Inp	709.30		NIST
Inp	712.00		NIST
Inp	708.50		NIST
Inp	710.50		NIST
Inp	720.00		NIST
Inp	721.00		NIST
Inp	720.30		NIST
Tboil	380.11	K	Relay (1.0) Calculated Property
Tc	538.00	K	Relay (1.0) Calculated Property
Tfus	176.30	K	Relay (1.0) Calculated Property
Vc	0.440	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[164.91; 404.35]	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			-1.04300e+01
Coefficient B			7.55580e-01
Coefficient C			-4.43000e-04
Coefficient D			1.02200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	164.91	J/mol×K	273.00	Calculated Property
Cp,gas	205.96	J/mol×K	353.78	Calculated Property
Cp,gas	242.64	J/mol×K	434.56	Calculated Property
Cp,gas	275.29	J/mol×K	515.33	Calculated Property
Cp,gas	304.21	J/mol×K	596.11	Calculated Property
Cp,gas	329.74	J/mol×K	676.89	Calculated Property
Cp,gas	352.19	J/mol×K	757.67	Calculated Property
Cp,gas	371.90	J/mol×K	838.44	Calculated Property
Cp,gas	389.17	J/mol×K	919.22	Calculated Property
Cp,gas	404.35	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1-Butene, 3-methyl-2-(1-methylethyl).

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.
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