Chemical Properties of 1-Hexene, 5,5-dimethyl- (CAS 7116-86-1)

InChI

InChI=1S/C8H16/c1-5-6-7-8(2,3)4/h5H,1,6-7H2,2-4H3

InChI Key

KZJIOVQKSAOPOP-UHFFFAOYSA-N

Formula

C8H16

SMILES

C=CCCC(C)(C)C

Molecular Weight¹

112.21

CAS

7116-86-1

Other Names

• 5,5-Dimethyl-1-hexene
• 5,5-Dimethylhex-1-ene
• 5,5-Dimethylhexene-1

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.2517		Relay (1.0) Calculated Property
ΔfG°	107.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-107.40	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	7.78	kJ/mol	Joback Calculated Property
ΔvapH°	37.70	kJ/mol	NIST
IE	9.44	eV	Relay (1.0) Calculated Property
log10WS	-3.96		Relay (1.0) Calculated Property
logPoct/wat	2.999		Crippen Calculated Property
McVol	119.280	ml/mol	McGowan Calculated Property
Pc	2698.60	kPa	Joback Calculated Property
Inp	[704.40; 711.50]
Inp	711.50		NIST
Inp	704.40		NIST
Inp	706.00		NIST
Inp	711.50		NIST
Tboil	[374.00; 376.30]	K
Tboil	374.00 ± 4.00	K	NIST
Tboil	376.30 ± 0.50	K	NIST
Tc	540.82	K	Relay (1.0) Calculated Property
Tfus	151.26	K	Relay (1.0) Calculated Property
Vc	0.422	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[163.92; 405.01]	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			-3.18480e+01
Coefficient B			8.69660e-01
Coefficient C			-6.06100e-04
Coefficient D			1.73300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	163.92	J/mol×K	273.00	Calculated Property
Cp,gas	207.63	J/mol×K	353.78	Calculated Property
Cp,gas	245.83	J/mol×K	434.56	Calculated Property
Cp,gas	279.07	J/mol×K	515.33	Calculated Property
Cp,gas	307.90	J/mol×K	596.11	Calculated Property
Cp,gas	332.86	J/mol×K	676.89	Calculated Property
Cp,gas	354.50	J/mol×K	757.67	Calculated Property
Cp,gas	373.38	J/mol×K	838.44	Calculated Property
Cp,gas	390.03	J/mol×K	919.22	Calculated Property
Cp,gas	405.01	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0095731; 0.0002446]	Pa×s	[180.58; 387.84]	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			-1.15106e+01
Coefficient B			1.23910e+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.			180.58
Temperature range, max.			387.84
η	0.0095731	Pa×s	180.58	Calculated Property
η	0.0044056	Pa×s	203.61	Calculated Property
η	0.0023738	Pa×s	226.64	Calculated Property
η	0.0014336	Pa×s	249.67	Calculated Property
η	0.0009428	Pa×s	272.70	Calculated Property
η	0.0006618	Pa×s	295.72	Calculated Property
η	0.0004890	Pa×s	318.75	Calculated Property
η	0.0003763	Pa×s	341.78	Calculated Property
η	0.0002993	Pa×s	364.81	Calculated Property
η	0.0002446	Pa×s	387.84	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[274.89; 425.97]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.22862e+01
Coefficient B			-2.51659e+03
Coefficient C			-6.51540e+01
Temperature range, min.			274.89
Temperature range, max.			425.97
Pvap	1.33	kPa	274.89	Calculated Property
Pvap	3.24	kPa	291.68	Calculated Property
Pvap	6.98	kPa	308.46	Calculated Property
Pvap	13.61	kPa	325.25	Calculated Property
Pvap	24.46	kPa	342.04	Calculated Property
Pvap	41.13	kPa	358.82	Calculated Property
Pvap	65.37	kPa	375.61	Calculated Property
Pvap	99.08	kPa	392.40	Calculated Property
Pvap	144.19	kPa	409.18	Calculated Property
Pvap	202.65	kPa	425.97	Calculated Property

Similar Compounds

Find more compounds similar to 1-Hexene, 5,5-dimethyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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