Chemical Properties of 2-Ethyl-3,3-dimethylbut-1-ene (CAS 18231-53-3)

InChI

InChI=1S/C8H16/c1-6-7(2)8(3,4)5/h2,6H2,1,3-5H3

InChI Key

KQRPZENSXZIOQO-UHFFFAOYSA-N

Formula

C8H16

SMILES

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

Molecular Weight¹

112.21

CAS

18231-53-3

Other Names

• 1-Butene, 2-ethyl-3,3-dimethyl
• 3,3-Dimethyl-2-ethyl-1-butene

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor 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
ΔfG°	98.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-101.56	kJ/mol	Joback Calculated Property
ΔfusH°	6.47	kJ/mol	Joback Calculated Property
ΔvapH°	38.50	kJ/mol	NIST
log10WS	-2.78		Crippen Calculated Property
logPoct/wat	2.999		Crippen Calculated Property
McVol	119.280	ml/mol	McGowan Calculated Property
Pc	2712.67	kPa	Joback Calculated Property
Inp	[729.50; 739.60]
Inp	739.60		NIST
Inp	729.50		NIST
Inp	731.00		NIST
Inp	739.60		NIST
Tboil	[383.75; 390.35]	K
Tboil	390.35 ± 0.30	K	NIST
Tboil	383.75 ± 0.40	K	NIST
Tc	557.27	K	Joback Calculated Property
Tfus	166.62	K	Joback Calculated Property
Vc	0.455	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[218.61; 294.42]	J/mol×K	[375.77; 557.27]
Cp,gas	218.61	J/mol×K	375.77	Joback Calculated Property
Cp,gas	232.95	J/mol×K	406.02	Joback Calculated Property
Cp,gas	246.58	J/mol×K	436.27	Joback Calculated Property
Cp,gas	259.50	J/mol×K	466.52	Joback Calculated Property
Cp,gas	271.77	J/mol×K	496.77	Joback Calculated Property
Cp,gas	283.40	J/mol×K	527.02	Joback Calculated Property
Cp,gas	294.42	J/mol×K	557.27	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[279.74; 419.72]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.29372e+01
Coefficient B			-2.68757e+03
Coefficient C			-6.72810e+01
Temperature range, min.			279.74
Temperature range, max.			419.72
Pvap	1.33	kPa	279.74	Calculated Property
Pvap	3.16	kPa	295.29	Calculated Property
Pvap	6.71	kPa	310.85	Calculated Property
Pvap	13.00	kPa	326.40	Calculated Property
Pvap	23.40	kPa	341.95	Calculated Property
Pvap	39.52	kPa	357.51	Calculated Property
Pvap	63.30	kPa	373.06	Calculated Property
Pvap	96.87	kPa	388.61	Calculated Property
Pvap	142.52	kPa	404.17	Calculated Property
Pvap	202.67	kPa	419.72	Calculated Property

Similar Compounds

Find more compounds similar to 2-Ethyl-3,3-dimethylbut-1-ene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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