Chemical Properties of 1-Butene, 2,3-dimethyl- (CAS 27416-06-4)

InChI

InChI=1S/C6H12/c1-5(2)6(3)4/h6H,1H2,2-4H3

InChI Key

OWWIWYDDISJUMY-UHFFFAOYSA-N

Formula

C6H12

SMILES

C=C(C)C(C)C

Molecular Weight¹

84.16

CAS

27416-06-4

Other Names

• (CH3)2CHC(CH3)=CH2
• 2,3-Dimethylbutene-1
• 2,3-dimethyl-1-butene
• 2,3-dimethylbut-1-ene

• 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.
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• λ_liquid : Liquid thermal conductivity (W/m×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	[0.2210; 0.2215]
ω	0.2210		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.2215		Passut and Danner (1973), critical constants and acentric factors Compiled value
ω	0.2210		KDB
ΔfG°	79.09	kJ/mol	KDB
Δc,grossH	3981.95	kJ/mol	KDB
Δc,netH	3717.861	kJ/mol	KDB
ΔfH°gas	-66.36	kJ/mol	KDB
ΔfusH°	5.18	kJ/mol	Joback Calculated Property
ΔvapH°	29.63	kJ/mol	Relay (1.0) Calculated Property
IE	9.01	eV	NIST
log10WS	-3.17		Relay (1.0) Calculated Property
logPoct/wat	2.219		Crippen Calculated Property
McVol	91.100	ml/mol	McGowan Calculated Property
NFPA Fire	3		KDB
Pc	[3240.00; 3242.60]	kPa
Pc	3242.40	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	3242.60	kPa	Passut and Danner (1973), critical constants and acentric factors Compiled value
Pc	3240.00	kPa	KDB
Tboil	[328.80; 328.88]	K
Tboil	328.88	K	Isobaric vapor-liquid equilibrium for four binary systems of thiophene
Tboil	328.88	K	Isobaric vapor-liquid equilibrium for systems containing sulfur compounds
Tboil	328.80	K	KDB
Tc	[497.70; 501.00]	K
Tc	497.70	K	Gas-Liquid Critical Temperatures of Some Alkenes, Amines, and Cyclic Hydrocarbons
Tc	501.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	500.93	K	Passut and Danner (1973), critical constants and acentric factors Compiled value
Tc	501.00	K	KDB
Tfus	[115.90; 116.15]	K
Tfus	116.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	115.90	K	KDB
Vc	[0.343; 0.343]	m3/kmol
Vc	0.343	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.343	m3/kmol	KDB
Zc	0.2667870		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	27.41	kJ/mol	328.80	KDB
Pvap	[153.70; 391.70]	kPa	[341.87; 377.37]
Pvap	153.70	kPa	341.87	Isothermal Vapor-Liquid Equilibrium for Methanol and 2,3-Dimethyl-1-butene at 343.06 K, 353.27 K, 363.19 K, and 372.90 K
Pvap	158.10	kPa	343.06	Isothermal Vapor-Liquid Equilibrium for Methanol and 2,3-Dimethyl-1-butene at 343.06 K, 353.27 K, 363.19 K, and 372.90 K
Pvap	162.30	kPa	343.95	Isothermal Vapor-Liquid Equilibrium for Methanol and 2,3-Dimethyl-1-butene at 343.06 K, 353.27 K, 363.19 K, and 372.90 K
Pvap	171.30	kPa	345.83	Isothermal Vapor-Liquid Equilibrium for Methanol and 2,3-Dimethyl-1-butene at 343.06 K, 353.27 K, 363.19 K, and 372.90 K
Pvap	178.20	kPa	347.12	Isothermal Vapor-Liquid Equilibrium for Methanol and 2,3-Dimethyl-1-butene at 343.06 K, 353.27 K, 363.19 K, and 372.90 K
Pvap	186.40	kPa	348.71	Isothermal Vapor-Liquid Equilibrium for Methanol and 2,3-Dimethyl-1-butene at 343.06 K, 353.27 K, 363.19 K, and 372.90 K
Pvap	196.30	kPa	350.49	Isothermal Vapor-Liquid Equilibrium for Methanol and 2,3-Dimethyl-1-butene at 343.06 K, 353.27 K, 363.19 K, and 372.90 K
Pvap	208.60	kPa	352.78	Isothermal Vapor-Liquid Equilibrium for Methanol and 2,3-Dimethyl-1-butene at 343.06 K, 353.27 K, 363.19 K, and 372.90 K
Pvap	211.30	kPa	353.27	Isothermal Vapor-Liquid Equilibrium for Methanol and 2,3-Dimethyl-1-butene at 343.06 K, 353.27 K, 363.19 K, and 372.90 K
Pvap	216.30	kPa	354.06	Isothermal Vapor-Liquid Equilibrium for Methanol and 2,3-Dimethyl-1-butene at 343.06 K, 353.27 K, 363.19 K, and 372.90 K
Pvap	228.90	kPa	356.15	Isothermal Vapor-Liquid Equilibrium for Methanol and 2,3-Dimethyl-1-butene at 343.06 K, 353.27 K, 363.19 K, and 372.90 K
Pvap	244.90	kPa	358.73	Isothermal Vapor-Liquid Equilibrium for Methanol and 2,3-Dimethyl-1-butene at 343.06 K, 353.27 K, 363.19 K, and 372.90 K
Pvap	262.10	kPa	361.30	Isothermal Vapor-Liquid Equilibrium for Methanol and 2,3-Dimethyl-1-butene at 343.06 K, 353.27 K, 363.19 K, and 372.90 K
Pvap	273.70	kPa	362.89	Isothermal Vapor-Liquid Equilibrium for Methanol and 2,3-Dimethyl-1-butene at 343.06 K, 353.27 K, 363.19 K, and 372.90 K
Pvap	275.30	kPa	363.19	Isothermal Vapor-Liquid Equilibrium for Methanol and 2,3-Dimethyl-1-butene at 343.06 K, 353.27 K, 363.19 K, and 372.90 K
Pvap	284.90	kPa	364.38	Isothermal Vapor-Liquid Equilibrium for Methanol and 2,3-Dimethyl-1-butene at 343.06 K, 353.27 K, 363.19 K, and 372.90 K
Pvap	292.70	kPa	365.57	Isothermal Vapor-Liquid Equilibrium for Methanol and 2,3-Dimethyl-1-butene at 343.06 K, 353.27 K, 363.19 K, and 372.90 K
Pvap	303.80	kPa	366.96	Isothermal Vapor-Liquid Equilibrium for Methanol and 2,3-Dimethyl-1-butene at 343.06 K, 353.27 K, 363.19 K, and 372.90 K
Pvap	313.90	kPa	368.24	Isothermal Vapor-Liquid Equilibrium for Methanol and 2,3-Dimethyl-1-butene at 343.06 K, 353.27 K, 363.19 K, and 372.90 K
Pvap	319.70	kPa	369.04	Isothermal Vapor-Liquid Equilibrium for Methanol and 2,3-Dimethyl-1-butene at 343.06 K, 353.27 K, 363.19 K, and 372.90 K
Pvap	328.60	kPa	370.13	Isothermal Vapor-Liquid Equilibrium for Methanol and 2,3-Dimethyl-1-butene at 343.06 K, 353.27 K, 363.19 K, and 372.90 K
Pvap	336.40	kPa	371.12	Isothermal Vapor-Liquid Equilibrium for Methanol and 2,3-Dimethyl-1-butene at 343.06 K, 353.27 K, 363.19 K, and 372.90 K
Pvap	346.10	kPa	372.21	Isothermal Vapor-Liquid Equilibrium for Methanol and 2,3-Dimethyl-1-butene at 343.06 K, 353.27 K, 363.19 K, and 372.90 K
Pvap	351.50	kPa	372.90	Isothermal Vapor-Liquid Equilibrium for Methanol and 2,3-Dimethyl-1-butene at 343.06 K, 353.27 K, 363.19 K, and 372.90 K
Pvap	358.80	kPa	373.70	Isothermal Vapor-Liquid Equilibrium for Methanol and 2,3-Dimethyl-1-butene at 343.06 K, 353.27 K, 363.19 K, and 372.90 K
Pvap	366.70	kPa	374.59	Isothermal Vapor-Liquid Equilibrium for Methanol and 2,3-Dimethyl-1-butene at 343.06 K, 353.27 K, 363.19 K, and 372.90 K
Pvap	372.10	kPa	375.19	Isothermal Vapor-Liquid Equilibrium for Methanol and 2,3-Dimethyl-1-butene at 343.06 K, 353.27 K, 363.19 K, and 372.90 K
Pvap	377.40	kPa	375.78	Isothermal Vapor-Liquid Equilibrium for Methanol and 2,3-Dimethyl-1-butene at 343.06 K, 353.27 K, 363.19 K, and 372.90 K
Pvap	386.80	kPa	376.87	Isothermal Vapor-Liquid Equilibrium for Methanol and 2,3-Dimethyl-1-butene at 343.06 K, 353.27 K, 363.19 K, and 372.90 K
Pvap	391.70	kPa	377.37	Isothermal Vapor-Liquid Equilibrium for Methanol and 2,3-Dimethyl-1-butene at 343.06 K, 353.27 K, 363.19 K, and 372.90 K
n0	1.38729		298.15	KDB
ρl	678.00	kg/m3	293.00	KDB
γ	0.02	N/m	298.20	KDB
λliquid	[0.10; 0.12]	W/m×K	[258.98; 327.21]
λliquid	0.12	W/m×K	258.98	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.12	W/m×K	259.29	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.12	W/m×K	259.40	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.11	W/m×K	278.29	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.11	W/m×K	278.63	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.11	W/m×K	278.87	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.11	W/m×K	294.18	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.11	W/m×K	294.53	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.11	W/m×K	294.78	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.10	W/m×K	312.86	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.10	W/m×K	313.23	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.10	W/m×K	313.50	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.10	W/m×K	322.51	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.10	W/m×K	322.90	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.10	W/m×K	323.18	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.10	W/m×K	326.52	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.10	W/m×K	326.91	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.10	W/m×K	327.21	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[122.79; 300.63]	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			-6.93000e+00
Coefficient B			5.59660e-01
Coefficient C			-3.31000e-04
Coefficient D			7.89000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	122.79	J/mol×K	273.00	Calculated Property
Cp,gas	153.13	J/mol×K	353.78	Calculated Property
Cp,gas	180.24	J/mol×K	434.56	Calculated Property
Cp,gas	204.38	J/mol×K	515.33	Calculated Property
Cp,gas	225.78	J/mol×K	596.11	Calculated Property
Cp,gas	244.71	J/mol×K	676.89	Calculated Property
Cp,gas	261.41	J/mol×K	757.67	Calculated Property
Cp,gas	276.13	J/mol×K	838.44	Calculated Property
Cp,gas	289.12	J/mol×K	919.22	Calculated Property
Cp,gas	300.63	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[235.32; 352.27]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.40939e+01
Coefficient B			-2.82259e+03
Coefficient C			-3.08790e+01
Temperature range, min.			235.32
Temperature range, max.			352.27
Pvap	1.33	kPa	235.32	Calculated Property
Pvap	3.04	kPa	248.31	Calculated Property
Pvap	6.33	kPa	261.31	Calculated Property
Pvap	12.16	kPa	274.30	Calculated Property
Pvap	21.89	kPa	287.30	Calculated Property
Pvap	37.23	kPa	300.29	Calculated Property
Pvap	60.29	kPa	313.29	Calculated Property
Pvap	93.58	kPa	326.28	Calculated Property
Pvap	139.97	kPa	339.28	Calculated Property
Pvap	202.65	kPa	352.27	Calculated Property
Pvap	[5.03e-09; 3220.47]	kPa	[115.89; 500.00]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			6.78292e+01
Coefficient B			-5.63780e+03
Coefficient C			-8.07579e+00
Coefficient D			6.84617e-06
Coefficient E			0.00000e+00
Temperature range, min.			115.89
Temperature range, max.			500.00
Pvap	5.03e-09	kPa	115.89	Calculated Property
Pvap	2.10e-04	kPa	158.57	Calculated Property
Pvap	0.06	kPa	201.25	Calculated Property
Pvap	2.08	kPa	243.93	Calculated Property
Pvap	20.63	kPa	286.61	Calculated Property
Pvap	103.07	kPa	329.28	Calculated Property
Pvap	337.18	kPa	371.96	Calculated Property
Pvap	839.94	kPa	414.64	Calculated Property
Pvap	1747.30	kPa	457.32	Calculated Property
Pvap	3220.47	kPa	500.00	Calculated Property

Similar Compounds

Find more compounds similar to 1-Butene, 2,3-dimethyl-.

Mixtures

• Thiophene, 3-methyl- + 1-Butene, 2,3-dimethyl-
• Thiophene + 1-Butene, 2,3-dimethyl-
• 1-Butene, 2,3-dimethyl- + Methyl Alcohol

Sources

• KDB Vapor Pressure Data
• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Passut and Danner (1973), critical constants and acentric factors ChEDL chemicals 1.5.2, from Passut, C. A.; Danner, R. P. Acentric Factor. A Valuable Correlating Parameter for the Properties of Hydrocarbons. Ind. Eng. Chem. Process Des. Dev. 1973, 12, 365-368.
• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Isobaric vapor-liquid equilibrium for four binary systems of thiophene
• Isobaric vapor-liquid equilibrium for systems containing sulfur compounds
• Gas-Liquid Critical Temperatures of Some Alkenes, Amines, and Cyclic Hydrocarbons
• Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
• Isothermal Vapor-Liquid Equilibrium for Methanol and 2,3-Dimethyl-1-butene at 343.06 K, 353.27 K, 363.19 K, and 372.90 K
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.