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_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).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-137.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.26	kJ/mol	Joback Calculated Property
ΔvapH°	38.10	kJ/mol	NIST
IE	8.80	eV	Relay (1.0) Calculated Property
logPoct/wat	2.999		Crippen Calculated Property
McVol	119.280	ml/mol	McGowan Calculated Property
Inp	[706.00; 716.80]
Inp	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
Inp	716.80		NIST
Inp	708.00		NIST
Tboil	377.30 ± 0.50	K	NIST
Tc	541.52	K	Relay (1.0) Calculated Property
Tfus	170.49	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[159.73; 402.94]	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			-4.30390e+01
Coefficient B			9.09680e-01
Coefficient C			-6.67000e-04
Coefficient D			2.03300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	159.73	J/mol×K	273.00	Calculated Property
Cp,gas	204.31	J/mol×K	353.78	Calculated Property
Cp,gas	243.00	J/mol×K	434.56	Calculated Property
Cp,gas	276.44	J/mol×K	515.33	Calculated Property
Cp,gas	305.28	J/mol×K	596.11	Calculated Property
Cp,gas	330.16	J/mol×K	676.89	Calculated Property
Cp,gas	351.72	J/mol×K	757.67	Calculated Property
Cp,gas	370.61	J/mol×K	838.44	Calculated Property
Cp,gas	387.47	J/mol×K	919.22	Calculated Property
Cp,gas	402.94	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0110015; 0.0002019]	Pa×s	[177.26; 396.95]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.17336e+01
Coefficient B			1.28050e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			177.26
Temperature range, max.			396.95
η	0.0110015	Pa×s	177.26	Calculated Property
η	0.0045890	Pa×s	201.67	Calculated Property
η	0.0023120	Pa×s	226.08	Calculated Property
η	0.0013313	Pa×s	250.49	Calculated Property
η	0.0008456	Pa×s	274.90	Calculated Property
η	0.0005783	Pa×s	299.31	Calculated Property
η	0.0004189	Pa×s	323.72	Calculated Property
η	0.0003174	Pa×s	348.13	Calculated Property
η	0.0002494	Pa×s	372.54	Calculated Property
η	0.0002019	Pa×s	396.95	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[275.93; 425.55]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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

• 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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