Chemical Properties of 1-Pentene, 2,4,4-trimethyl- (CAS 107-39-1)

InChI

InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3

InChI Key

FXNDIJDIPNCZQJ-UHFFFAOYSA-N

Formula

C8H16

SMILES

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

Molecular Weight¹

112.21

CAS

107-39-1

Other Names

• (tert-C4H9)CH2C(CH3)=CH2
• .alpha.-diisobutylene
• 1-Pentene, 2,2,4-trimethyl-
• 2,2,4-TRIMETHYL-4-PENETEN
• 2,2,4-Trimethyl-4-pentene
• 2,4,4-Trimethyl-1-pentene
• 2,4,4-Trimethylpent-1-ene
• 2,4,4-Trimethylpentene-1
• DIISOBUTENE
• DIISOBUTYLENE

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_boil : Boiling point at given pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2798		Relay (1.0) Calculated Property
ΔcH°liquid	[-5292.72; -5289.08]	kJ/mol
ΔcH°liquid	-5289.08 ± 0.67	kJ/mol	NIST
ΔcH°liquid	-5292.72	kJ/mol	NIST
ΔfG°	98.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-104.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	6.47	kJ/mol	Joback Calculated Property
ΔvapH°	[35.70; 35.70]	kJ/mol
ΔvapH°	35.70	kJ/mol	NIST
ΔvapH°	35.70	kJ/mol	NIST
ΔvapH°	35.70	kJ/mol	NIST
IE	8.91 ± 0.01	eV	NIST
log10WS	-3.88		Relay (1.0) 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	[701.50; 717.60]
Inp	708.60		NIST
Inp	701.50		NIST
Inp	712.00		NIST
Inp	713.00		NIST
Inp	714.00		NIST
Inp	715.20		NIST
Inp	716.40		NIST
Inp	717.60		NIST
Inp	709.90		NIST
Inp	711.20		NIST
Inp	712.50		NIST
Inp	713.80		NIST
Inp	715.30		NIST
Inp	716.80		NIST
Inp	710.20		NIST
Inp	711.50		NIST
Inp	711.90		NIST
Inp	712.60		NIST
Inp	717.10		NIST
Inp	714.30		NIST
Inp	715.00		NIST
Inp	708.00		NIST
Inp	704.00		NIST
Inp	704.00		NIST
Inp	707.00		NIST
Inp	706.00		NIST
Inp	702.00		NIST
Inp	704.00		NIST
Inp	708.00		NIST
Inp	704.00		NIST
Inp	703.00		NIST
Inp	710.00		NIST
Inp	712.00		NIST
Inp	710.00		NIST
Inp	709.00		NIST
Inp	709.00		NIST
Inp	713.00		NIST
Inp	708.00		NIST
Inp	716.00		NIST
Inp	708.00		NIST
Inp	705.00		NIST
Inp	708.00		NIST
Inp	704.00		NIST
Inp	708.00		NIST
Inp	703.00		NIST
Inp	709.00		NIST
I	[750.00; 750.00]
I	750.00		NIST
I	750.00		NIST
S°liquid	[306.30; 311.70]	J/mol×K
S°liquid	306.30	J/mol×K	NIST
S°liquid	311.70	J/mol×K	NIST
Tboil	[373.25; 378.10]	K
Tboil	374.60	K	NIST
Tboil	374.59 ± 0.30	K	NIST
Tboil	375.00 ± 3.00	K	NIST
Tboil	375.00 ± 3.00	K	NIST
Tboil	Outlier 377.61 ± 2.00	K	NIST
Tboil	374.60 ± 0.50	K	NIST
Tboil	374.45 ± 0.30	K	NIST
Tboil	374.70 ± 0.60	K	NIST
Tboil	374.70 ± 0.15	K	NIST
Tboil	374.58 ± 0.05	K	NIST
Tboil	374.59 ± 0.20	K	NIST
Tboil	374.59 ± 0.20	K	NIST
Tboil	374.59 ± 0.20	K	NIST
Tboil	374.40 ± 1.00	K	NIST
Tboil	375.80 ± 0.50	K	NIST
Tboil	Outlier 378.10 ± 0.50	K	NIST
Tboil	374.80 ± 0.15	K	NIST
Tboil	373.25 ± 0.30	K	NIST
Tboil	374.40 ± 0.50	K	NIST
Tboil	375.95 ± 0.30	K	NIST
Tboil	374.40 ± 0.60	K	NIST
Tc	537.26	K	Relay (1.0) Calculated Property
Tfus	173.50	K	Relay (1.0) Calculated Property
Ttriple	[172.00; 178.90]	K
Ttriple	178.90 ± 0.20	K	NIST
Ttriple	172.00 ± 1.00	K	NIST
Vc	0.428	m3/kmol	Relay (1.0) 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
Cp,liquid	[235.35; 240.20]	J/mol×K	[296.00; 298.60]
Cp,liquid	235.35	J/mol×K	296.00	NIST
Cp,liquid	240.20	J/mol×K	298.60	NIST
ΔfusH	[6.79; 8.79]	kJ/mol	[166.00; 178.90]
ΔfusH	6.79	kJ/mol	166.00	NIST
ΔfusH	8.79	kJ/mol	178.90	NIST
ΔfusH	8.77	kJ/mol	178.90	NIST
ΔfusH	8.77	kJ/mol	178.90	NIST
ΔvapH	[33.50; 35.10]	kJ/mol	[338.00; 362.00]
ΔvapH	35.10	kJ/mol	338.00	NIST
ΔvapH	33.50	kJ/mol	362.00	NIST
Pvap	[8.66; 58.57]	kPa	[306.23; 356.24]
Pvap	8.66	kPa	306.23	Vapor-Liquid Equilibrium for Benzaldehyde with 1-Methylethylbenzene and for 2-Methyl-propan-2-ol with 2,4,4-Trimethyl-1-pentene
Pvap	10.15	kPa	309.74	Vapor-Liquid Equilibrium for Benzaldehyde with 1-Methylethylbenzene and for 2-Methyl-propan-2-ol with 2,4,4-Trimethyl-1-pentene
Pvap	11.78	kPa	313.14	Vapor-Liquid Equilibrium for Benzaldehyde with 1-Methylethylbenzene and for 2-Methyl-propan-2-ol with 2,4,4-Trimethyl-1-pentene
Pvap	13.56	kPa	316.42	Vapor-Liquid Equilibrium for Benzaldehyde with 1-Methylethylbenzene and for 2-Methyl-propan-2-ol with 2,4,4-Trimethyl-1-pentene
Pvap	15.49	kPa	319.61	Vapor-Liquid Equilibrium for Benzaldehyde with 1-Methylethylbenzene and for 2-Methyl-propan-2-ol with 2,4,4-Trimethyl-1-pentene
Pvap	17.94	kPa	323.20	Vapor-Liquid Equilibrium for Benzaldehyde with 1-Methylethylbenzene and for 2-Methyl-propan-2-ol with 2,4,4-Trimethyl-1-pentene
Pvap	20.63	kPa	326.72	Vapor-Liquid Equilibrium for Benzaldehyde with 1-Methylethylbenzene and for 2-Methyl-propan-2-ol with 2,4,4-Trimethyl-1-pentene
Pvap	23.47	kPa	330.07	Vapor-Liquid Equilibrium for Benzaldehyde with 1-Methylethylbenzene and for 2-Methyl-propan-2-ol with 2,4,4-Trimethyl-1-pentene
Pvap	26.37	kPa	333.14	Vapor-Liquid Equilibrium for Benzaldehyde with 1-Methylethylbenzene and for 2-Methyl-propan-2-ol with 2,4,4-Trimethyl-1-pentene
Pvap	29.75	kPa	336.41	Vapor-Liquid Equilibrium for Benzaldehyde with 1-Methylethylbenzene and for 2-Methyl-propan-2-ol with 2,4,4-Trimethyl-1-pentene
Pvap	33.57	kPa	339.75	Vapor-Liquid Equilibrium for Benzaldehyde with 1-Methylethylbenzene and for 2-Methyl-propan-2-ol with 2,4,4-Trimethyl-1-pentene
Pvap	37.81	kPa	343.12	Vapor-Liquid Equilibrium for Benzaldehyde with 1-Methylethylbenzene and for 2-Methyl-propan-2-ol with 2,4,4-Trimethyl-1-pentene
Pvap	42.90	kPa	346.79	Vapor-Liquid Equilibrium for Benzaldehyde with 1-Methylethylbenzene and for 2-Methyl-propan-2-ol with 2,4,4-Trimethyl-1-pentene
Pvap	47.01	kPa	349.50	Vapor-Liquid Equilibrium for Benzaldehyde with 1-Methylethylbenzene and for 2-Methyl-propan-2-ol with 2,4,4-Trimethyl-1-pentene
Pvap	53.00	kPa	353.14	Vapor-Liquid Equilibrium for Benzaldehyde with 1-Methylethylbenzene and for 2-Methyl-propan-2-ol with 2,4,4-Trimethyl-1-pentene
Pvap	58.57	kPa	356.24	Vapor-Liquid Equilibrium for Benzaldehyde with 1-Methylethylbenzene and for 2-Methyl-propan-2-ol with 2,4,4-Trimethyl-1-pentene
n0	1.40620		298.15	Phase equilibria on four binary systems containing 3-methylthiophene
ρl	[710.70; 710.73]	kg/m3	[298.15; 298.15]
ρl	710.70	kg/m3	298.15	Measurements and modeling of LLE and HE for (methanol + 2,4,4-trimethyl-1-pentene), and LLE for (water + methanol + 2,4,4-trimethyl-1-pentene)
ρl	710.73	kg/m3	298.15	Binary Liquid Liquid Equilibria of ?-Valerolactone with Some Hydrocarbons
ΔfusS	[40.90; 48.99]	J/mol×K	[166.00; 178.90]
ΔfusS	40.90	J/mol×K	166.00	NIST
ΔfusS	48.99	J/mol×K	178.90	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[269.50; 401.80]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.38710e+01
Coefficient B			-3.06177e+03
Coefficient C			-4.40930e+01
Temperature range, min.			269.50
Temperature range, max.			401.80
Pvap	1.33	kPa	269.50	Calculated Property
Pvap	3.06	kPa	284.20	Calculated Property
Pvap	6.39	kPa	298.90	Calculated Property
Pvap	12.31	kPa	313.60	Calculated Property
Pvap	22.15	kPa	328.30	Calculated Property
Pvap	37.63	kPa	343.00	Calculated Property
Pvap	60.82	kPa	357.70	Calculated Property
Pvap	94.17	kPa	372.40	Calculated Property
Pvap	140.43	kPa	387.10	Calculated Property
Pvap	202.67	kPa	401.80	Calculated Property
Pvap	[1.58e-04; 2555.47]	kPa	[179.70; 553.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.30325e+01
Coefficient B			-6.61504e+03
Coefficient C			-8.69861e+00
Coefficient D			5.59308e-06
Temperature range, min.			179.70
Temperature range, max.			553.00
Pvap	1.58e-04	kPa	179.70	Calculated Property
Pvap	0.03	kPa	221.18	Calculated Property
Pvap	0.80	kPa	262.66	Calculated Property
Pvap	7.89	kPa	304.13	Calculated Property
Pvap	41.03	kPa	345.61	Calculated Property
Pvap	141.08	kPa	387.09	Calculated Property
Pvap	367.63	kPa	428.57	Calculated Property
Pvap	791.55	kPa	470.04	Calculated Property
Pvap	1491.10	kPa	511.52	Calculated Property
Pvap	2555.47	kPa	553.00	Calculated Property

Similar Compounds

Find more compounds similar to 1-Pentene, 2,4,4-trimethyl-.

Mixtures

• Thiophene, 3-methyl- + 1-Pentene, 2,4,4-trimethyl-
• 1-Pentene, 2,4,4-trimethyl- + Disulfide, dimethyl
• Dimethyl sulfide + 1-Pentene, 2,4,4-trimethyl-
• 1-Pentene, 2,4,4-trimethyl- + Methyl Alcohol
• 1-Pentene, 2,4,4-trimethyl- + Methyl Alcohol + Water
• Ethanol + 1-Pentene, 2,4,4-trimethyl-
• Isopropyl Alcohol + 1-Pentene, 2,4,4-trimethyl-
• 2-Propanol, 2-methyl- + 1-Pentene, 2,4,4-trimethyl-
• 1-Pentene, 2,4,4-trimethyl- + Thiophene, tetrahydro-

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Phase equilibria on four binary systems containing 3-methylthiophene
• Phase equilibria for systems containing dimethyl disulfide and diethyl disulfide with hydrocarbons at 368.15 K
• Vapor liquid equilibrium for binary system of tetrahydrothiophene + 2,2,4-trimethylpentane and tetrahydrothiophene + 2,4,4-trimethyl-1-pentene at 358.15 and 368.15 K
• Infinite dilution activity coefficient and vapour liquid equilibrium measurements for dimethylsulphide and tetrahydrothiophene with hydrocarbons
• Measurements and modeling of LLE and HE for (methanol + 2,4,4-trimethyl-1-pentene), and LLE for (water + methanol + 2,4,4-trimethyl-1-pentene)
• Vapor Liquid Equilibria for Ethanol + 2,4,4-Trimethyl-1-pentene and 2-Propanol + 2,4,4-Trimethyl-1-pentene at 101 kPa
• Vapor-Liquid Equilibrium Data at 343 K and Excess Molar Enthalpy Data at 298 K for the Binary Systems of Ethanol + 2,4,4-Trimethyl-1-pentene and 2-Propanol + 2,4,4-Trimethyl-1-pentene
• Vapor-Liquid Equilibrium for Benzaldehyde with 1-Methylethylbenzene and for 2-Methyl-propan-2-ol with 2,4,4-Trimethyl-1-pentene
• Binary Liquid Liquid Equilibria of ?-Valerolactone with Some Hydrocarbons
• Joback Method
• KDB
• 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.