Chemical Properties of 1-Butene, 3-methyl- (CAS 563-45-1)

InChI

InChI=1S/C5H10/c1-4-5(2)3/h4-5H,1H2,2-3H3

InChI Key

YHQXBTXEYZIYOV-UHFFFAOYSA-N

Formula

C5H10

SMILES

C=CC(C)C

Molecular Weight¹

70.13

CAS

563-45-1

Other Names

• (CH3)2CHCH=CH2
• .alpha.-isoamylene
• 2-methyl-3-butene
• 3,3-dimethylpropene
• 3-Methylbutene-1
• 3-methyl-1-butene
• 3-methylbut-1-ene
• Isopentene
• UN 2371
• UN 2561
• Vinylisopropyl
• isopropylethene
• isopropylethylene
• «alpha»-Isoamylene

• 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).
• C_sat : Molar heat capacity at saturation pressure (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_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).
• ρ_c : Critical 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_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	0.1948		Relay (1.0) Calculated Property
ΔcH°liquid	-3345.10 ± 0.54	kJ/mol	NIST
ΔfG°	76.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-25.50	kJ/mol	NIST
ΔfH°liquid	-51.60 ± 0.62	kJ/mol	NIST
ΔfusH°	3.90	kJ/mol	Joback Calculated Property
ΔvapH°	23.90	kJ/mol	NIST
IE	[9.50; 9.60]	eV
IE	9.52 ± 0.01	eV	NIST
IE	9.53 ± 0.00	eV	NIST
IE	9.52	eV	NIST
IE	Outlier 9.60 ± 0.03	eV	NIST
IE	9.52	eV	NIST
IE	9.51 ± 0.03	eV	NIST
IE	9.50 ± 0.10	eV	NIST
log10WS	[-2.73; -2.73]
log10WS	-2.73		Aq. Solubility Prediction
log10WS	-2.73		Estimated Solubility
logPoct/wat	1.828		Crippen Calculated Property
McVol	77.010	ml/mol	McGowan Calculated Property
Pc	3530.00 ± 30.00	kPa	NIST
ρc	230.04 ± 2.10	kg/m3	NIST
Inp	[444.00; 475.11]
Inp	457.10		NIST
Inp	450.10		NIST
Inp	450.00		NIST
Inp	457.00		NIST
Inp	457.00		NIST
Inp	450.00		NIST
Inp	450.60		NIST
Inp	450.20		NIST
Inp	450.70		NIST
Inp	449.80		NIST
Inp	Outlier 475.11		NIST
Inp	451.00		NIST
Inp	450.00		NIST
Inp	Outlier 471.10		NIST
Inp	450.00		NIST
Inp	451.00		NIST
Inp	449.45		NIST
Inp	Outlier 472.00		NIST
Inp	449.00		NIST
Inp	450.00		NIST
Inp	452.00		NIST
Inp	452.00		NIST
Inp	460.00		NIST
Inp	454.00		NIST
Inp	448.00		NIST
Inp	450.00		NIST
Inp	461.20		NIST
Inp	462.00		NIST
Inp	451.10		NIST
Inp	445.14		NIST
Inp	445.18		NIST
Inp	445.00		NIST
Inp	449.90		NIST
Inp	450.00		NIST
Inp	449.00		NIST
Inp	Outlier 473.00		NIST
Inp	453.00		NIST
Inp	458.00		NIST
Inp	445.00		NIST
Inp	457.00		NIST
Inp	444.00		NIST
Inp	450.00		NIST
Inp	452.00		NIST
Inp	451.00		NIST
Inp	461.00		NIST
Inp	455.00		NIST
Inp	453.00		NIST
Inp	457.00		NIST
Inp	457.00		NIST
Inp	459.00		NIST
Inp	457.10		NIST
Inp	450.00		NIST
Inp	Outlier 475.11		NIST
Inp	451.00		NIST
Inp	452.00		NIST
Inp	449.90		NIST
Inp	457.00		NIST
Inp	451.10		NIST
I	[487.00; 490.00]
I	490.00		NIST
I	487.00		NIST
I	490.00		NIST
S°liquid	[253.30; 253.50]	J/mol×K
S°liquid	253.50	J/mol×K	NIST
S°liquid	253.30	J/mol×K	NIST
Tboil	[291.95; 294.65]	K
Tboil	293.00	K	NIST
Tboil	293.30	K	NIST
Tboil	294.00 ± 3.00	K	NIST
Tboil	293.30 ± 0.60	K	NIST
Tboil	293.40 ± 1.00	K	NIST
Tboil	293.20 ± 0.50	K	NIST
Tboil	293.20 ± 0.50	K	NIST
Tboil	Outlier 291.95 ± 0.60	K	NIST
Tboil	Outlier 294.65 ± 3.00	K	NIST
Tboil	293.17 ± 0.20	K	NIST
Tboil	293.17 ± 0.20	K	NIST
Tboil	293.15 ± 0.50	K	NIST
Tboil	292.65 ± 0.55	K	NIST
Tboil	293.25 ± 0.60	K	NIST
Tboil	293.25 ± 0.30	K	NIST
Tboil	293.34 ± 0.40	K	NIST
Tboil	293.35 ± 0.20	K	NIST
Tboil	293.40 ± 0.60	K	NIST
Tboil	293.40 ± 0.50	K	NIST
Tboil	294.20 ± 1.50	K	NIST
Tboil	294.20 ± 1.50	K	NIST
Tboil	293.25 ± 0.20	K	NIST
Tboil	293.65 ± 0.50	K	NIST
Tc	[451.38; 452.70]	K
Tc	451.38	K	Vapor Pressures and Vapor Liquid Critical Properties of Four Pentene Isomers
Tc	452.70 ± 0.30	K	NIST
Tfus	[104.60; 104.90]	K
Tfus	Outlier 104.90	K	Aq. Solubility Prediction
Tfus	104.64 ± 0.06	K	NIST
Tfus	104.65 ± 0.03	K	NIST
Tfus	104.70 ± 0.20	K	NIST
Tfus	104.60 ± 0.06	K	NIST
Tfus	104.61 ± 0.05	K	NIST
Tfus	104.65 ± 0.04	K	NIST
Ttriple	[104.71; 104.72]	K
Ttriple	104.71 ± 0.02	K	NIST
Ttriple	104.72 ± 0.02	K	NIST
Ttriple	104.71 ± 0.05	K	NIST
Ttriple	104.71 ± 0.02	K	NIST
Ttriple	104.72 ± 0.02	K	NIST
Vc	0.305	m3/kmol	NIST

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[113.33; 160.80]	J/mol×K	[310.04; 480.19]
Cp,gas	113.33	J/mol×K	310.04	Joback Calculated Property
Cp,gas	122.05	J/mol×K	338.40	Joback Calculated Property
Cp,gas	130.44	J/mol×K	366.76	Joback Calculated Property
Cp,gas	138.50	J/mol×K	395.12	Joback Calculated Property
Cp,gas	146.24	J/mol×K	423.47	Joback Calculated Property
Cp,gas	153.67	J/mol×K	451.83	Joback Calculated Property
Cp,gas	160.80	J/mol×K	480.19	Joback Calculated Property
Cp,liquid	[156.06; 156.10]	J/mol×K	[298.15; 298.15]
Cp,liquid	156.10	J/mol×K	298.15	NIST
Cp,liquid	156.06	J/mol×K	298.15	NIST
Csat	[121.40; 156.50]	J/mol×K	[110.00; 300.00]
Csat	121.40	J/mol×K	110.00	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	121.90	J/mol×K	120.00	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	122.50	J/mol×K	130.00	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	123.30	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	124.20	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	125.40	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	126.60	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	128.10	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	129.70	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	131.40	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	133.30	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	135.30	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	137.50	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	139.80	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	142.30	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	144.90	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	147.60	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	148.50	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	150.40	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	153.40	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	155.90	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	156.50	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
η	[0.0001932; 0.0057693]	Pa×s	[129.35; 310.04]
η	0.0057693	Pa×s	129.35	Joback Calculated Property
η	0.0019191	Pa×s	159.47	Joback Calculated Property
η	0.0009056	Pa×s	189.58	Joback Calculated Property
η	0.0005251	Pa×s	219.69	Joback Calculated Property
η	0.0003472	Pa×s	249.81	Joback Calculated Property
η	0.0002509	Pa×s	279.93	Joback Calculated Property
η	0.0001932	Pa×s	310.04	Joback Calculated Property
ΔfusH	[5.36; 5.36]	kJ/mol	[104.70; 104.71]
ΔfusH	5.36	kJ/mol	104.70	NIST
ΔfusH	5.36	kJ/mol	104.70	NIST
ΔfusH	5.36	kJ/mol	104.71	NIST
ΔfusH	5.36	kJ/mol	104.71	NIST
ΔfusH	5.36	kJ/mol	104.71	NIST
ΔfusH	5.36	kJ/mol	104.71	NIST
ΔvapH	[25.40; 26.30]	kJ/mol	[280.50; 298.50]
ΔvapH	26.30	kJ/mol	280.50	NIST
ΔvapH	25.40	kJ/mol	298.50	NIST
ΔfusS	[51.18; 51.18]	J/mol×K	[104.71; 104.71]
ΔfusS	51.18	J/mol×K	104.71	NIST
ΔfusS	51.18	J/mol×K	104.71	NIST
ΔfusS	51.18	J/mol×K	104.71	NIST
ΔfusS	51.18	J/mol×K	104.71	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[209.84; 314.08]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42164e+01
Coefficient B			-2.57363e+03
Coefficient C			-2.50700e+01
Temperature range, min.			209.84
Temperature range, max.			314.08
Pvap	1.33	kPa	209.84	Calculated Property
Pvap	3.03	kPa	221.42	Calculated Property
Pvap	6.29	kPa	233.00	Calculated Property
Pvap	12.09	kPa	244.59	Calculated Property
Pvap	21.76	kPa	256.17	Calculated Property
Pvap	37.02	kPa	267.75	Calculated Property
Pvap	60.01	kPa	279.33	Calculated Property
Pvap	93.27	kPa	290.92	Calculated Property
Pvap	139.72	kPa	302.50	Calculated Property
Pvap	202.64	kPa	314.08	Calculated Property
Pvap	[1.34e-08; 3445.41]	kPa	[104.66; 450.37]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.12332e+01
Coefficient B			-5.04579e+03
Coefficient C			-8.87493e+00
Coefficient D			1.15451e-05
Temperature range, min.			104.66
Temperature range, max.			450.37
Pvap	1.34e-08	kPa	104.66	Calculated Property
Pvap	3.91e-04	kPa	143.07	Calculated Property
Pvap	0.10	kPa	181.48	Calculated Property
Pvap	2.67	kPa	219.90	Calculated Property
Pvap	23.97	kPa	258.31	Calculated Property
Pvap	112.32	kPa	296.72	Calculated Property
Pvap	354.33	kPa	335.13	Calculated Property
Pvap	871.07	kPa	373.55	Calculated Property
Pvap	1824.21	kPa	411.96	Calculated Property
Pvap	3445.41	kPa	450.37	Calculated Property

Similar Compounds

Find more compounds similar to 1-Butene, 3-methyl-.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Vapor Pressures and Vapor Liquid Critical Properties of Four Pentene Isomers
• 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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