Chemical Properties of 2-Hexene, 5,5-dimethyl-, (E)- (CAS 39782-43-9)

InChI

InChI=1S/C8H16/c1-5-6-7-8(2,3)4/h5-6H,7H2,1-4H3/b6-5+

InChI Key

NWZJLSKAFZXSQH-AATRIKPKSA-N

Formula

C8H16

SMILES

CC=CCC(C)(C)C

Molecular Weight¹

112.21

CAS

39782-43-9

Other Names

• (E)-5,5-Dimethyl-2-hexene
• (E)-5,5-Dimethylhex-2-ene
• 5,5-Dimethyl-2-hexene (trans)
• 5,5-Dimethyl-trans-2-hexene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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°	99.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-99.98	kJ/mol	Joback Calculated Property
ΔfusH°	9.26	kJ/mol	Joback Calculated Property
ΔvapH°	38.10	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	2726.86	kPa	Joback Calculated Property
Inp	[706.00; 716.80]
Inp	Outlier 716.80		NIST
Inp	706.20		NIST
Inp	709.50		NIST
Inp	712.50		NIST
Inp	712.50		NIST
Inp	708.00		NIST
Inp	706.00		NIST
Inp	707.00		NIST
Inp	707.00		NIST
Tboil	377.30 ± 0.50	K	NIST
Tc	566.77	K	Joback Calculated Property
Tfus	177.26	K	Joback Calculated Property
Vc	0.453	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[219.13; 295.30]	J/mol×K	[383.37; 566.77]
Cp,gas	219.13	J/mol×K	383.37	Joback Calculated Property
Cp,gas	233.64	J/mol×K	413.94	Joback Calculated Property
Cp,gas	247.38	J/mol×K	444.50	Joback Calculated Property
Cp,gas	260.39	J/mol×K	475.07	Joback Calculated Property
Cp,gas	272.68	J/mol×K	505.64	Joback Calculated Property
Cp,gas	284.31	J/mol×K	536.21	Joback Calculated Property
Cp,gas	295.30	J/mol×K	566.77	Joback Calculated Property
η	[0.0002263; 0.0110015]	Pa×s	[177.26; 383.37]
η	0.0110015	Pa×s	177.26	Joback Calculated Property
η	0.0034054	Pa×s	211.61	Joback Calculated Property
η	0.0014626	Pa×s	245.96	Joback Calculated Property
η	0.0007728	Pa×s	280.31	Joback Calculated Property
η	0.0004693	Pa×s	314.67	Joback Calculated Property
η	0.0003144	Pa×s	349.02	Joback Calculated Property
η	0.0002263	Pa×s	383.37	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[275.93; 425.55]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.23577e+01
Coefficient B			-2.53285e+03
Coefficient C			-6.60830e+01
Temperature range, min.			275.93
Temperature range, max.			425.55
Pvap	1.33	kPa	275.93	Calculated Property
Pvap	3.23	kPa	292.55	Calculated Property
Pvap	6.95	kPa	309.18	Calculated Property
Pvap	13.54	kPa	325.80	Calculated Property
Pvap	24.34	kPa	342.43	Calculated Property
Pvap	40.94	kPa	359.05	Calculated Property
Pvap	65.13	kPa	375.68	Calculated Property
Pvap	98.83	kPa	392.30	Calculated Property
Pvap	144.01	kPa	408.93	Calculated Property
Pvap	202.66	kPa	425.55	Calculated Property

Similar Compounds

Find more compounds similar to 2-Hexene, 5,5-dimethyl-, (E)-.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.