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-Methyl-1-butene
• 3-Methylbutene-1
• 3-methylbut-1-ene
• ISOPENTENE
• ISOPROPYLETHYLENE
• UN 2371
• UN 2561
• VINYLISOPROPYL
• isopropylethene
• «alpha»-Isoamylene
• «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).
• η : Dynamic viscosity (Pa×s).
• 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_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).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_c : Critical density (kg/m³).
• 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).
• γ : Surface Tension (N/m).
• 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).
• Z_c : Critical Compressibility.
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2090		KDB
ΔcH°liquid	-3345.10 ± 0.54	kJ/mol	NIST
ΔfG°	74.82	kJ/mol	KDB
Δc,grossH	3343.31	kJ/mol	KDB
Δc,netH	3123.230	kJ/mol	KDB
ΔfH°gas	[-28.97; -25.50]	kJ/mol
ΔfH°gas	-28.97	kJ/mol	KDB
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. Sol...
log10WS	-2.73		Estimat...
logPoct/wat	1.828		Crippen Calculated Property
McVol	77.010	ml/mol	McGowan Calculated Property
NFPA Fire	4		KDB
NFPA Health	2		KDB
Pc	[3530.00; 3530.00]	kPa
Pc	3530.00	kPa	KDB
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
I	[487.00; 490.00]
I	490.00		NIST
I	487.00		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	293.30	K	KDB
Tc	[451.38; 452.70]	K
Tc	452.70	K	KDB
Tc	451.38	K	Vapor P...
Tc	452.70 ± 0.30	K	NIST
Tfus	[104.70; 104.90]	K
Tfus	104.70	K	KDB
Tfus	104.90	K	Aq. Sol...
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
Vc	[0.305; 0.305]	m3/kmol
Vc	0.305	m3/kmol	KDB
Vc	0.305	m3/kmol	NIST
Zc	0.2859470		KDB
Zra	0.27		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[113.33; 160.80]	J/mol×K	[310.04; 480.19]
T(K) Ideal gas heat capacity (J/mol×K) 110 120 130 140 150 160 350 400 450
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
η	[0.0001932; 0.0057693]	Pa×s	[129.35; 310.04]
T(K) Dynamic viscosity (Pa×s) 0 1.00e-3 2.00e-3 3.00e-3 4.00e-3 5.00e-3 6.00e-3 150 200 250 300
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
ΔvapH	[24.10; 26.30]	kJ/mol	[280.50; 298.50]
ΔvapH	26.30	kJ/mol	280.50	NIST
ΔvapH	24.10	kJ/mol	293.30	KDB
ΔvapH	25.40	kJ/mol	298.50	NIST
n0	1.36110		298.15	KDB
ρl	627.00	kg/m3	293.00	KDB
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
γ	0.01	N/m	298.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[209.84; 314.08]	The Yaw...
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
T(K) Vapor pressure (kPa) 0 50 100 150 200 250 300
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 Vap...
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
T(K) Vapor pressure (kPa) 0 500 1000 1500 2000 2500 3000 3500 100 200 300 400
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
• 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

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