Chemical Properties of 2-Butene, 2-methyl- (CAS 513-35-9)

InChI

InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3

InChI Key

BKOOMYPCSUNDGP-UHFFFAOYSA-N

Formula

C5H10

SMILES

CC=C(C)C

Molecular Weight¹

70.13

CAS

513-35-9

Other Names

• (CH3)2C=CHCH3
• 1,1,2-Trimethylethylene
• 2-Methy-2-Butene
• 2-Methylbutene-2
• 2-methyl-2-butene
• 2-methylbut-2-ene
• 3-Methyl-2-butene
• Amylene
• Ethylene, trimethyl-
• NSC 74118
• UN 2460
• b-isoamylene
• n-amylene
• trimethylethylene
• «beta»-Isoamylene

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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).
• C_sat : Molar heat capacity at saturation pressure (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_fH°_liquid : Liquid phase 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.
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2192		Relay (1.0) Calculated Property
PAff	808.80	kJ/mol	NIST
BasG	779.90	kJ/mol	NIST
ΔcH°liquid	-3328.60 ± 1.30	kJ/mol	NIST
ΔfG°	62.89	kJ/mol	Joback Calculated Property
ΔfH°gas	[-41.50; -41.00]	kJ/mol
ΔfH°gas	-41.50 ± 0.88	kJ/mol	NIST
ΔfH°gas	-41.00	kJ/mol	NIST
ΔfH°liquid	[-68.60; -68.10]	kJ/mol
ΔfH°liquid	-68.60 ± 0.80	kJ/mol	NIST
ΔfH°liquid	-68.10 ± 1.30	kJ/mol	NIST
ΔfusH°	7.60	kJ/mol	Joback Calculated Property
ΔvapH°	[27.10; 27.34]	kJ/mol
ΔvapH°	27.34	kJ/mol	NIST
ΔvapH°	27.10	kJ/mol	NIST
ΔvapH°	27.10 ± 0.10	kJ/mol	NIST
IE	[8.67; 8.85]	eV
IE	8.69 ± 0.01	eV	NIST
IE	8.69	eV	NIST
IE	8.68 ± 0.02	eV	NIST
IE	8.68 ± 0.00	eV	NIST
IE	8.70	eV	NIST
IE	8.83 ± 0.11	eV	NIST
IE	8.72	eV	NIST
IE	Outlier 8.85 ± 0.04	eV	NIST
IE	8.67 ± 0.02	eV	NIST
IE	8.68	eV	NIST
log10WS	[-2.56; -2.56]
log10WS	-2.56		Aq. Solubility Prediction
log10WS	-2.56		Estimated Solubility
logPoct/wat	1.973		Crippen Calculated Property
McVol	77.010	ml/mol	McGowan Calculated Property
Pc	3420.00 ± 100.00	kPa	NIST
Inp	[498.00; 531.00]
Inp	520.20		NIST
Inp	513.80		NIST
Inp	515.00		NIST
Inp	520.10		NIST
Inp	Outlier 504.00		NIST
Inp	Outlier 504.00		NIST
Inp	520.00		NIST
Inp	519.80		NIST
Inp	520.00		NIST
Inp	519.80		NIST
Inp	514.30		NIST
Inp	514.40		NIST
Inp	523.00		NIST
Inp	519.00		NIST
Inp	519.00		NIST
Inp	520.00		NIST
Inp	520.00		NIST
Inp	520.00		NIST
Inp	514.50		NIST
Inp	519.90		NIST
Inp	520.30		NIST
Inp	514.50		NIST
Inp	514.70		NIST
Inp	514.00		NIST
Inp	520.00		NIST
Inp	520.00		NIST
Inp	520.00		NIST
Inp	519.00		NIST
Inp	514.33		NIST
Inp	514.00		NIST
Inp	514.00		NIST
Inp	526.00		NIST
Inp	514.00		NIST
Inp	514.00		NIST
Inp	513.75		NIST
Inp	514.00		NIST
Inp	507.00		NIST
Inp	514.00		NIST
Inp	514.00		NIST
Inp	515.00		NIST
Inp	515.00		NIST
Inp	515.00		NIST
Inp	515.00		NIST
Inp	522.00		NIST
Inp	514.00		NIST
Inp	526.00		NIST
Inp	527.00		NIST
Inp	525.00		NIST
Inp	523.00		NIST
Inp	515.80		NIST
Inp	518.60		NIST
Inp	520.00		NIST
Inp	513.84		NIST
Inp	514.38		NIST
Inp	514.00		NIST
Inp	520.30		NIST
Inp	519.50		NIST
Inp	520.40		NIST
Inp	514.20		NIST
Inp	Outlier 530.00		NIST
Inp	514.00		NIST
Inp	515.00		NIST
Inp	Outlier 531.00		NIST
Inp	519.00		NIST
Inp	521.00		NIST
Inp	Outlier 498.00		NIST
Inp	514.00		NIST
Inp	522.00		NIST
Inp	514.00		NIST
Inp	519.00		NIST
Inp	515.00		NIST
Inp	Outlier 502.00		NIST
Inp	515.00		NIST
Inp	521.00		NIST
Inp	514.00		NIST
Inp	515.00		NIST
Inp	522.00		NIST
Inp	517.00		NIST
Inp	520.00		NIST
Inp	520.00		NIST
Inp	523.00		NIST
Inp	524.00		NIST
Inp	517.00		NIST
Inp	517.00		NIST
Inp	517.00		NIST
Inp	514.00		NIST
Inp	525.00		NIST
Inp	515.80		NIST
Inp	514.00		NIST
Inp	519.00		NIST
Inp	525.00		NIST
I	[561.00; 614.00]
I	614.00		NIST
I	573.00		NIST
I	561.00		NIST
I	614.00		NIST
S°liquid	[248.90; 251.20]	J/mol×K
S°liquid	251.20	J/mol×K	NIST
S°liquid	251.04	J/mol×K	NIST
S°liquid	248.90	J/mol×K	NIST
Tboil	[308.15; 312.00]	K
Tboil	Outlier 309.70	K	NIST
Tboil	311.80	K	NIST
Tboil	311.70	K	NIST
Tboil	310.70 ± 0.70	K	NIST
Tboil	311.40 ± 1.50	K	NIST
Tboil	311.60 ± 1.00	K	NIST
Tboil	311.60 ± 0.50	K	NIST
Tboil	311.70 ± 1.50	K	NIST
Tboil	311.80 ± 0.60	K	NIST
Tboil	312.00 ± 5.00	K	NIST
Tboil	311.72 ± 0.30	K	NIST
Tboil	311.65 ± 1.00	K	NIST
Tboil	311.75 ± 0.60	K	NIST
Tboil	311.63 ± 0.10	K	NIST
Tboil	Outlier 309.65 ± 2.00	K	NIST
Tboil	311.50 ± 0.60	K	NIST
Tboil	311.75 ± 0.50	K	NIST
Tboil	311.65 ± 1.00	K	NIST
Tboil	311.75 ± 0.50	K	NIST
Tboil	Outlier 308.15 ± 2.00	K	NIST
Tboil	311.70 ± 0.50	K	NIST
Tboil	311.64 ± 0.30	K	NIST
Tboil	311.75 ± 0.30	K	NIST
Tboil	310.30 ± 0.50	K	NIST
Tboil	311.00 ± 2.00	K	NIST
Tboil	311.65 ± 0.30	K	NIST
Tboil	311.75 ± 1.00	K	NIST
Tboil	311.63 ± 0.30	K	NIST
Tboil	311.75 ± 0.30	K	NIST
Tboil	311.15 ± 1.50	K	NIST
Tboil	311.15 ± 1.50	K	NIST
Tboil	311.75 ± 1.00	K	NIST
Tboil	311.57 ± 0.15	K	NIST
Tboil	311.57 ± 0.20	K	NIST
Tboil	311.45 ± 0.50	K	NIST
Tboil	311.27 ± 1.00	K	NIST
Tboil	309.80 ± 1.50	K	NIST
Tboil	310.90 ± 1.50	K	NIST
Tboil	310.85 ± 1.00	K	NIST
Tboil	311.45 ± 0.60	K	NIST
Tboil	311.40 ± 2.00	K	NIST
Tboil	310.30 ± 0.50	K	NIST
Tboil	311.00 ± 3.00	K	NIST
Tboil	311.57 ± 0.20	K	NIST
Tboil	310.15 ± 2.00	K	NIST
Tc	[470.00; 481.00]	K
Tc	477.47	K	Vapor Pressures and Vapor Liquid Critical Properties of Four Pentene Isomers
Tc	470.00 ± 1.00	K	NIST
Tc	481.00	K	NIST
Tfus	[127.10; 150.00]	K
Tfus	139.22	K	Aq. Solubility Prediction
Tfus	139.35 ± 0.07	K	NIST
Tfus	139.35 ± 0.04	K	NIST
Tfus	139.37 ± 0.02	K	NIST
Tfus	139.12 ± 0.40	K	NIST
Tfus	140.20 ± 0.50	K	NIST
Tfus	139.00 ± 1.50	K	NIST
Tfus	139.00 ± 1.00	K	NIST
Tfus	Outlier 127.10 ± 0.70	K	NIST
Tfus	150.00 ± 4.00	K	NIST
Tfus	146.00 ± 6.00	K	NIST
Ttriple	[138.90; 139.44]	K
Ttriple	139.40 ± 0.02	K	NIST
Ttriple	139.42 ± 0.05	K	NIST
Ttriple	139.44 ± 0.60	K	NIST
Ttriple	139.42 ± 0.60	K	NIST
Ttriple	138.90 ± 0.20	K	NIST
Ttriple	139.40 ± 0.02	K	NIST
Ttriple	139.42 ± 0.05	K	NIST
Ttriple	138.90 ± 0.20	K	NIST

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[111.00; 152.05]	J/mol×K	[319.04; 471.09]
Cp,gas	111.00 ± 0.33	J/mol×K	319.04	NIST
Cp,gas	122.97 ± 0.37	J/mol×K	362.37	NIST
Cp,gas	133.93 ± 0.40	J/mol×K	402.26	NIST
Cp,gas	143.05 ± 0.43	J/mol×K	436.18	NIST
Cp,gas	152.05 ± 0.46	J/mol×K	471.09	NIST
Cp,liquid	[146.40; 152.80]	J/mol×K	[293.90; 298.15]
Cp,liquid	146.40	J/mol×K	293.90	NIST
Cp,liquid	152.80	J/mol×K	298.15	NIST
Cp,liquid	152.80	J/mol×K	298.15	NIST
Csat	[132.10; 153.30]	J/mol×K	[140.00; 300.00]
Csat	132.20	J/mol×K	140.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	132.10	J/mol×K	150.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	132.20	J/mol×K	160.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	132.50	J/mol×K	170.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	133.00	J/mol×K	180.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	133.70	J/mol×K	190.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	134.60	J/mol×K	200.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	135.60	J/mol×K	210.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	136.90	J/mol×K	220.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	138.40	J/mol×K	230.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	140.00	J/mol×K	240.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	141.80	J/mol×K	250.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	143.80	J/mol×K	260.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	145.90	J/mol×K	270.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	146.60	J/mol×K	273.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	148.20	J/mol×K	280.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	150.70	J/mol×K	290.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	152.80	J/mol×K	298.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	153.30	J/mol×K	300.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
ΔfusH	[7.43; 7.60]	kJ/mol	[138.90; 139.42]
ΔfusH	7.43	kJ/mol	138.90	NIST
ΔfusH	7.43	kJ/mol	138.90	NIST
ΔfusH	7.58	kJ/mol	139.40	NIST
ΔfusH	7.59	kJ/mol	139.40	NIST
ΔfusH	7.60	kJ/mol	139.40	NIST
ΔfusH	7.58	kJ/mol	139.40	NIST
ΔfusH	7.60	kJ/mol	139.42	NIST
ΔfusH	7.60	kJ/mol	139.42	NIST
ΔvapH	[26.30; 28.40]	kJ/mol	[290.00; 312.00]
ΔvapH	27.50 ± 0.10	kJ/mol	290.00	NIST
ΔvapH	28.40	kJ/mol	307.00	NIST
ΔvapH	28.30	kJ/mol	310.00	NIST
ΔvapH	26.31	kJ/mol	311.70	NIST
ΔvapH	26.30 ± 0.10	kJ/mol	312.00	NIST
n0	1.38760		293.15	Isobaric Vapor Liquid Equilibrium for Nine Binary Systems of Cracking C5 Fraction at 250 kPa
ΔfusS	[5.35; 54.49]	J/mol×K	[138.90; 139.42]
ΔfusS	5.35	J/mol×K	138.90	NIST
ΔfusS	5.35	J/mol×K	138.90	NIST
ΔfusS	54.37	J/mol×K	139.40	NIST
ΔfusS	54.37	J/mol×K	139.40	NIST
ΔfusS	54.49	J/mol×K	139.42	NIST
ΔfusS	54.49	J/mol×K	139.42	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[225.05; 333.31]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.43288e+01
Coefficient B			-2.72849e+03
Coefficient C			-3.07250e+01
Temperature range, min.			225.05
Temperature range, max.			333.31
Pvap	1.33	kPa	225.05	Calculated Property
Pvap	3.02	kPa	237.08	Calculated Property
Pvap	6.26	kPa	249.11	Calculated Property
Pvap	12.02	kPa	261.14	Calculated Property
Pvap	21.64	kPa	273.17	Calculated Property
Pvap	36.84	kPa	285.19	Calculated Property
Pvap	59.77	kPa	297.22	Calculated Property
Pvap	93.00	kPa	309.25	Calculated Property
Pvap	139.52	kPa	321.28	Calculated Property
Pvap	202.65	kPa	333.31	Calculated Property
Pvap	[2.09e-05; 3445.97]	kPa	[139.39; 471.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.56700e+01
Coefficient B			-5.58161e+03
Coefficient C			-9.44186e+00
Coefficient D			1.09937e-05
Temperature range, min.			139.39
Temperature range, max.			471.00
Pvap	2.09e-05	kPa	139.39	Calculated Property
Pvap	0.01	kPa	176.24	Calculated Property
Pvap	0.52	kPa	213.08	Calculated Property
Pvap	6.64	kPa	249.93	Calculated Property
Pvap	39.72	kPa	286.77	Calculated Property
Pvap	149.00	kPa	323.62	Calculated Property
Pvap	414.04	kPa	360.46	Calculated Property
Pvap	943.88	kPa	397.31	Calculated Property
Pvap	1885.03	kPa	434.15	Calculated Property
Pvap	3445.97	kPa	471.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Butene, 2-methyl-.

Mixtures

• 2-Butene, 2-methyl- + Butane, 2-methyl-
• 2-Butene, 2-methyl- + Cyclopentane
• Isoprene + 2-Butene, 2-methyl-

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Isobaric Vapor Liquid Equilibrium for Nine Binary Systems of Cracking C5 Fraction at 250 kPa
• Vapor Pressures and Vapor Liquid Critical Properties of Four Pentene Isomers
• Thermochemistry of Branched Ethers: Experimental Study of Chemical Equilibrium in the Reacting System of tert-Amyl Alkyl Ether Synthesis
• Thermochemistry of Benzyl Alcohol: Reaction Equilibria Involving Benzyl Alcohol and tert-Alkyl Ethers
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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