Chemical Properties of 1-Pentene, 4-methyl- (CAS 691-37-2)

InChI

InChI=1S/C6H12/c1-4-5-6(2)3/h4,6H,1,5H2,2-3H3

InChI Key

WSSSPWUEQFSQQG-UHFFFAOYSA-N

Formula

C6H12

SMILES

C=CCC(C)C

Molecular Weight¹

84.16

CAS

691-37-2

Other Names

• (CH3)2CHCH2CH=CH2
• 4-Methyl-1-pentene
• 4-Methylpentene-(1)
• 4-methylpent-1-ene
• ISOBUTYLETHENE

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas 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).
• 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	0.2620		KDB
ΔcH°liquid	-3997.82 ± 0.54	kJ/mol	NIST
ΔfG°	85.04	kJ/mol	Joback Calculated Property
Δc,grossH	3996.10	kJ/mol	KDB
Δc,netH	3732.002	kJ/mol	KDB
ΔfH°gas	-49.44 ± 0.67	kJ/mol	NIST
ΔfH°liquid	-78.22 ± 0.64	kJ/mol	NIST
ΔfusH°	6.49	kJ/mol	Joback Calculated Property
ΔvapH°	[28.60; 28.80]	kJ/mol
ΔvapH°	28.80 ± 0.20	kJ/mol	NIST
ΔvapH°	28.60 ± 0.20	kJ/mol	NIST
ΔvapH°	28.70	kJ/mol	NIST
ΔvapH°	28.70	kJ/mol	NIST
ΔvapH°	28.70	kJ/mol	NIST
IE	[9.44; 9.45]	eV
IE	9.45 ± 0.01	eV	NIST
IE	9.45 ± 0.02	eV	NIST
IE	9.44	eV	NIST
IE	9.45 ± 0.00	eV	NIST
log10WS	-3.24		Aq. Sol...
logPoct/wat	2.219		Crippen Calculated Property
McVol	91.100	ml/mol	McGowan Calculated Property
NFPA Fire	3		KDB
NFPA Health	1		KDB
Pc	[3290.00; 3290.00]	kPa
Pc	3290.00	kPa	KDB
Pc	3290.00 ± 150.00	kPa	NIST
ρc	238.17 ± 10.10	kg/m3	NIST
Inp	[546.00; 568.00]
Inp	556.20		NIST
Inp	548.10		NIST
Inp	548.00		NIST
Inp	554.00		NIST
Inp	556.70		NIST
Inp	557.10		NIST
Inp	556.70		NIST
Inp	557.10		NIST
Inp	549.40		NIST
Inp	550.40		NIST
Inp	558.70		NIST
Inp	559.20		NIST
Inp	556.00		NIST
Inp	556.80		NIST
Inp	549.70		NIST
Inp	550.80		NIST
Inp	556.00		NIST
Inp	556.00		NIST
Inp	559.60		NIST
Inp	559.80		NIST
Inp	560.00		NIST
Inp	560.20		NIST
Inp	560.40		NIST
Inp	560.70		NIST
Inp	555.70		NIST
Inp	556.40		NIST
Inp	557.00		NIST
Inp	557.60		NIST
Inp	558.40		NIST
Inp	559.10		NIST
Inp	562.00		NIST
Inp	560.90		NIST
Inp	559.40		NIST
Inp	558.00		NIST
Inp	556.50		NIST
Inp	555.10		NIST
Inp	551.00		NIST
Inp	549.00		NIST
Inp	556.00		NIST
Inp	549.00		NIST
Inp	549.00		NIST
Inp	550.00		NIST
Inp	550.00		NIST
Inp	549.00		NIST
Inp	550.00		NIST
Inp	547.94		NIST
Inp	559.00		NIST
Inp	551.00		NIST
Inp	559.00		NIST
Inp	549.00		NIST
Inp	550.00		NIST
Inp	551.00		NIST
Inp	552.00		NIST
Inp	557.00		NIST
Inp	554.00		NIST
Inp	561.70		NIST
Inp	560.00		NIST
Inp	554.60		NIST
Inp	547.00		NIST
Inp	549.00		NIST
Inp	560.00		NIST
Inp	549.00		NIST
Inp	549.00		NIST
Inp	Outlier 568.00		NIST
Inp	553.00		NIST
Inp	558.00		NIST
Inp	548.00		NIST
Inp	546.00		NIST
Inp	554.00		NIST
Inp	554.00		NIST
Inp	552.00		NIST
Inp	551.00		NIST
Inp	562.00		NIST
Inp	556.00		NIST
Inp	556.00		NIST
Inp	559.00		NIST
Inp	561.00		NIST
Inp	551.00		NIST
Inp	561.00		NIST
Inp	551.00		NIST
Inp	552.00		NIST
Inp	559.00		NIST
Inp	553.00		NIST
Inp	554.00		NIST
Inp	554.60		NIST
I	[589.00; 595.00]
I	595.00		NIST
I	589.00		NIST
I	595.00		NIST
Tboil	[326.65; 327.20]	K
Tboil	327.00	K	KDB
Tboil	327.10	K	NIST
Tboil	326.95 ± 0.50	K	NIST
Tboil	327.05 ± 0.50	K	NIST
Tboil	327.04 ± 0.20	K	NIST
Tboil	327.15 ± 0.50	K	NIST
Tboil	326.98 ± 0.30	K	NIST
Tboil	327.10 ± 0.30	K	NIST
Tboil	327.10 ± 0.30	K	NIST
Tboil	327.03 ± 0.20	K	NIST
Tboil	326.95 ± 0.50	K	NIST
Tboil	326.91 ± 0.20	K	NIST
Tboil	327.10 ± 0.20	K	NIST
Tboil	327.10 ± 0.20	K	NIST
Tboil	326.90 ± 0.50	K	NIST
Tboil	326.95 ± 0.40	K	NIST
Tboil	326.90 ± 0.60	K	NIST
Tboil	327.15 ± 0.40	K	NIST
Tboil	Outlier 326.70 ± 3.00	K	NIST
Tboil	327.20 ± 0.40	K	NIST
Tboil	326.90 ± 0.60	K	NIST
Tboil	Outlier 326.65 ± 2.00	K	NIST
Tc	[493.10; 495.00]	K
Tc	494.80	K	KDB
Tc	493.10	K	Gas-Liq...
Tc	495.00 ± 2.00	K	NIST
Tfus	[118.16; 168.10]	K
Tfus	120.00	K	KDB
Tfus	119.62	K	Aq. Sol...
Tfus	Outlier 168.10 ± 0.40	K	NIST
Tfus	119.20 ± 0.15	K	NIST
Tfus	119.14 ± 0.50	K	NIST
Tfus	118.16 ± 0.20	K	NIST
Tfus	119.11 ± 0.30	K	NIST
Tfus	119.31 ± 0.30	K	NIST
Tfus	119.10 ± 0.40	K	NIST
Vc	0.346	m3/kmol	KDB
Zc	0.2770980		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[145.52; 201.16]	J/mol×K	[332.92; 503.71]
Cp,gas	145.52	J/mol×K	332.92	Joback Calculated Property
Cp,gas	155.75	J/mol×K	361.38	Joback Calculated Property
Cp,gas	165.59	J/mol×K	389.85	Joback Calculated Property
Cp,gas	175.03	J/mol×K	418.31	Joback Calculated Property
Cp,gas	184.10	J/mol×K	446.78	Joback Calculated Property
Cp,gas	192.81	J/mol×K	475.24	Joback Calculated Property
Cp,gas	201.16	J/mol×K	503.71	Joback Calculated Property
η	[0.0002133; 0.0069474]	Pa×s	[140.62; 332.92]
η	0.0069474	Pa×s	140.62	Joback Calculated Property
η	0.0022681	Pa×s	172.67	Joback Calculated Property
η	0.0010513	Pa×s	204.72	Joback Calculated Property
η	0.0006001	Pa×s	236.77	Joback Calculated Property
η	0.0003915	Pa×s	268.82	Joback Calculated Property
η	0.0002798	Pa×s	300.87	Joback Calculated Property
η	0.0002133	Pa×s	332.92	Joback Calculated Property
ΔfusH	4.93	kJ/mol	118.90	NIST
ΔvapH	[24.90; 30.10]	kJ/mol	[299.00; 335.00]
ΔvapH	30.10	kJ/mol	299.00	NIST
ΔvapH	27.07	kJ/mol	327.00	KDB
ΔvapH	27.40 ± 0.30	kJ/mol	335.00	NIST
ΔvapH	26.20 ± 0.40	kJ/mol	335.00	NIST
ΔvapH	24.90 ± 0.50	kJ/mol	335.00	NIST
n0	1.37974		298.15	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[234.66; 350.23]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.41104e+01
Coefficient B			-2.79799e+03
Coefficient C			-3.22380e+01
Temperature range, min.			234.66
Temperature range, max.			350.23
Pvap	1.33	kPa	234.66	Calculated Property
Pvap	3.04	kPa	247.50	Calculated Property
Pvap	6.32	kPa	260.34	Calculated Property
Pvap	12.16	kPa	273.18	Calculated Property
Pvap	21.88	kPa	286.02	Calculated Property
Pvap	37.20	kPa	298.87	Calculated Property
Pvap	60.25	kPa	311.71	Calculated Property
Pvap	93.54	kPa	324.55	Calculated Property
Pvap	139.93	kPa	337.39	Calculated Property
Pvap	202.64	kPa	350.23	Calculated Property
Pvap	[1.64e-08; 3285.71]	kPa	[119.51; 496.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.91163e+01
Coefficient B			-5.94790e+03
Coefficient C			-9.91273e+00
Coefficient D			1.01493e-05
Temperature range, min.			119.51
Temperature range, max.			496.00
Pvap	1.64e-08	kPa	119.51	Calculated Property
Pvap	3.80e-04	kPa	161.34	Calculated Property
Pvap	0.09	kPa	203.17	Calculated Property
Pvap	2.50	kPa	245.01	Calculated Property
Pvap	22.65	kPa	286.84	Calculated Property
Pvap	106.81	kPa	328.67	Calculated Property
Pvap	338.16	kPa	370.50	Calculated Property
Pvap	832.25	kPa	412.34	Calculated Property
Pvap	1742.03	kPa	454.17	Calculated Property
Pvap	3285.71	kPa	496.00	Calculated Property

Similar Compounds

Find more compounds similar to 1-Pentene, 4-methyl-.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Gas-Liquid Critical Temperatures of Some Alkenes, Amines, and Cyclic Hydrocarbons
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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