Chemical Properties of 1-Pentene, 2-methyl- (CAS 763-29-1)

InChI

InChI=1S/C6H12/c1-4-5-6(2)3/h2,4-5H2,1,3H3

InChI Key

WWUVJRULCWHUSA-UHFFFAOYSA-N

Formula

C6H12

SMILES

C=C(C)CCC

Molecular Weight¹

84.16

CAS

763-29-1

Other Names

• 2-Methyl-1-pentene
• 2-Methyl-pentene-1
• 2-Methylpentene
• 2-methylpent-1-ene
• 4-METHYL-4-PENTENE
• C2H5CH2C(CH3)=CH2

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_c,grossH : Heat of Combustion, Gross form (kJ/mol).
• Δ_c,netH : Heat of Combustion, Net Form (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).
• 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).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• I_np : Non-polar retention indices.
• I : 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).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2670		KDB
ΔfG°	78.93	kJ/mol	Joback Calculated Property
Δc,grossH	3986.18	kJ/mol	KDB
Δc,netH	3722.086	kJ/mol	KDB
ΔfH°gas	-51.53	kJ/mol	Joback Calculated Property
ΔfusH°	8.71	kJ/mol	Joback Calculated Property
ΔvapH°	[30.50; 30.50]	kJ/mol
ΔvapH°	30.50	kJ/mol	NIST
ΔvapH°	30.50	kJ/mol	NIST
ΔvapH°	30.50	kJ/mol	NIST
IE	[9.04; 9.08]	eV
IE	9.08 ± 0.01	eV	NIST
IE	9.04	eV	NIST
IE	9.08 ± 0.01	eV	NIST
log10WS	[-3.03; -3.03]
log10WS	-3.03		Aq. Sol...
log10WS	-3.03		Estimat...
logPoct/wat	2.363		Crippen Calculated Property
McVol	91.100	ml/mol	McGowan Calculated Property
NFPA Fire	3		KDB
NFPA Health	1		KDB
Pc	3280.00	kPa	KDB
Inp	[575.00; 607.00]
Inp	588.00		NIST
Inp	579.40		NIST
Inp	580.00		NIST
Inp	588.00		NIST
Inp	588.00		NIST
Inp	588.00		NIST
Inp	588.00		NIST
Inp	580.10		NIST
Inp	580.50		NIST
Inp	590.70		NIST
Inp	591.20		NIST
Inp	587.00		NIST
Inp	588.00		NIST
Inp	588.00		NIST
Inp	580.40		NIST
Inp	587.50		NIST
Inp	588.10		NIST
Inp	580.30		NIST
Inp	580.90		NIST
Inp	588.00		NIST
Inp	588.00		NIST
Inp	592.40		NIST
Inp	592.40		NIST
Inp	592.40		NIST
Inp	592.40		NIST
Inp	592.50		NIST
Inp	592.60		NIST
Inp	588.00		NIST
Inp	585.00		NIST
Inp	589.00		NIST
Inp	587.70		NIST
Inp	588.10		NIST
Inp	588.60		NIST
Inp	589.00		NIST
Inp	589.50		NIST
Inp	590.00		NIST
Inp	588.80		NIST
Inp	588.80		NIST
Inp	588.30		NIST
Inp	588.00		NIST
Inp	587.70		NIST
Inp	587.60		NIST
Inp	582.00		NIST
Inp	580.10		NIST
Inp	579.80		NIST
Inp	580.30		NIST
Inp	581.00		NIST
Inp	580.00		NIST
Inp	580.20		NIST
Inp	580.00		NIST
Inp	581.00		NIST
Inp	579.25		NIST
Inp	588.00		NIST
Inp	579.00		NIST
Inp	579.00		NIST
Inp	580.00		NIST
Inp	580.00		NIST
Inp	582.00		NIST
Inp	582.00		NIST
Inp	589.00		NIST
Inp	Outlier 575.00		NIST
Inp	590.20		NIST
Inp	590.00		NIST
Inp	584.20		NIST
Inp	587.40		NIST
Inp	588.00		NIST
Inp	583.35		NIST
Inp	583.43		NIST
Inp	583.00		NIST
Inp	579.60		NIST
Inp	579.00		NIST
Inp	580.00		NIST
Inp	580.00		NIST
Inp	580.00		NIST
Inp	Outlier 600.00		NIST
Inp	588.00		NIST
Inp	Outlier 607.00		NIST
Inp	589.00		NIST
Inp	584.00		NIST
Inp	589.00		NIST
Inp	587.00		NIST
Inp	582.00		NIST
Inp	589.00		NIST
Inp	581.00		NIST
Inp	590.00		NIST
Inp	588.00		NIST
Inp	589.00		NIST
Inp	588.00		NIST
Inp	588.00		NIST
Inp	591.00		NIST
Inp	591.00		NIST
Inp	580.00		NIST
Inp	590.00		NIST
Inp	589.00		NIST
Inp	580.00		NIST
Inp	594.00		NIST
Inp	594.00		NIST
Inp	579.60		NIST
Inp	Outlier 600.00		NIST
Inp	582.00		NIST
Inp	589.00		NIST
Inp	580.00		NIST
Inp	594.00		NIST
Inp	588.00		NIST
Inp	591.20		NIST
Inp	587.50		NIST
Inp	592.50		NIST
Inp	587.70		NIST
Inp	590.00		NIST
Inp	580.30		NIST
Inp	581.00		NIST
Inp	Outlier 575.00		NIST
I	[623.00; 634.00]
I	634.00		NIST
I	623.00		NIST
I	634.00		NIST
Tboil	335.30	K	KDB
Tc	[506.50; 521.00]	K
Tc	506.50	K	KDB
Tc	521.00	K	Gas-Liq...
Tfus	[137.00; 137.43]	K
Tfus	137.00	K	KDB
Tfus	137.25	K	Aq. Sol...
Tfus	137.43 ± 0.40	K	NIST
Vc	0.353	m3/kmol	KDB
Zc	0.2753260		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[145.82; 200.57]	J/mol×K	[333.24; 503.41]
Cp,gas	145.82	J/mol×K	333.24	Joback Calculated Property
Cp,gas	155.88	J/mol×K	361.60	Joback Calculated Property
Cp,gas	165.55	J/mol×K	389.96	Joback Calculated Property
Cp,gas	174.84	J/mol×K	418.33	Joback Calculated Property
Cp,gas	183.77	J/mol×K	446.69	Joback Calculated Property
Cp,gas	192.34	J/mol×K	475.05	Joback Calculated Property
Cp,gas	200.57	J/mol×K	503.41	Joback Calculated Property
ΔvapH	[28.07; 31.60]	kJ/mol	[306.50; 335.30]
ΔvapH	31.60	kJ/mol	306.50	NIST
ΔvapH	28.07	kJ/mol	335.30	KDB
n0	1.38912		298.15	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[241.31; 358.95]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.40283e+01
Coefficient B			-2.80476e+03
Coefficient C			-3.71870e+01
Temperature range, min.			241.31
Temperature range, max.			358.95
Pvap	1.33	kPa	241.31	Calculated Property
Pvap	3.05	kPa	254.38	Calculated Property
Pvap	6.35	kPa	267.45	Calculated Property
Pvap	12.21	kPa	280.52	Calculated Property
Pvap	21.97	kPa	293.59	Calculated Property
Pvap	37.34	kPa	306.67	Calculated Property
Pvap	60.44	kPa	319.74	Calculated Property
Pvap	93.74	kPa	332.81	Calculated Property
Pvap	140.09	kPa	345.88	Calculated Property
Pvap	202.64	kPa	358.95	Calculated Property
Pvap	[8.72e-07; 3159.39]	kPa	[137.42; 507.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.36898e+01
Coefficient B			-6.02144e+03
Coefficient C			-8.92966e+00
Coefficient D			7.24925e-06
Temperature range, min.			137.42
Temperature range, max.			507.00
Pvap	8.72e-07	kPa	137.42	Calculated Property
Pvap	2.22e-03	kPa	178.48	Calculated Property
Pvap	0.22	kPa	219.55	Calculated Property
Pvap	4.06	kPa	260.61	Calculated Property
Pvap	30.18	kPa	301.68	Calculated Property
Pvap	127.83	kPa	342.74	Calculated Property
Pvap	378.51	kPa	383.81	Calculated Property
Pvap	885.04	kPa	424.87	Calculated Property
Pvap	1765.18	kPa	465.94	Calculated Property
Pvap	3159.39	kPa	507.00	Calculated Property

Similar Compounds

Find more compounds similar to 1-Pentene, 2-methyl-.

Mixtures

• Propylene oxide + 1-Pentene, 2-methyl-

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Vapor-liquid equilibria of binary mixtures of propylene oxide witheither ethyl benzene, 2-methylpentane, or 2-methyl-1-pentene
• Gas-Liquid Critical Temperatures of Some Alkenes, Amines, and Cyclic Hydrocarbons
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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