Chemical Properties of 1-Pentene, 3-methyl- (CAS 760-20-3)

InChI

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

InChI Key

LDTAOIUHUHHCMU-UHFFFAOYSA-N

Formula

C6H12

SMILES

C=CC(C)CC

Molecular Weight¹

84.16

CAS

760-20-3

Other Names

• 3-METHYL-1-PENTENE
• 3-Methylpentene-1
• 3-methylpent-1-ene
• C2H5CH(CH3)CH=CH2
• SEC-BUTYLETHENE

• ω : Acentric Factor.
• 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_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).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• I_np : Non-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
ΔfG°	85.04	kJ/mol	Joback Calculated Property
Δc,grossH	3997.98	kJ/mol	KDB
Δc,netH	3733.885	kJ/mol	KDB
ΔfH°gas	-47.02	kJ/mol	Joback Calculated Property
ΔfusH°	6.49	kJ/mol	Joback Calculated Property
ΔvapH°	[28.60; 28.60]	kJ/mol
ΔvapH°	28.60	kJ/mol	NIST
ΔvapH°	28.60	kJ/mol	NIST
ΔvapH°	28.60	kJ/mol	NIST
IE	[9.44; 9.44]	eV
IE	9.44	eV	NIST
IE	9.44	eV	NIST
log10WS	-1.95		Crippen Calculated Property
logPoct/wat	2.219		Crippen Calculated Property
McVol	91.100	ml/mol	McGowan Calculated Property
Pc	3290.00	kPa	KDB
Inp	[543.00; 592.00]
Inp	557.60		NIST
Inp	549.70		NIST
Inp	549.00		NIST
Inp	551.80		NIST
Inp	558.00		NIST
Inp	558.00		NIST
Inp	558.00		NIST
Inp	556.00		NIST
Inp	557.00		NIST
Inp	558.00		NIST
Inp	558.00		NIST
Inp	559.00		NIST
Inp	559.00		NIST
Inp	561.10		NIST
Inp	561.50		NIST
Inp	562.00		NIST
Inp	562.40		NIST
Inp	563.00		NIST
Inp	563.50		NIST
Inp	558.00		NIST
Inp	557.00		NIST
Inp	561.00		NIST
Inp	558.20		NIST
Inp	558.80		NIST
Inp	559.30		NIST
Inp	559.90		NIST
Inp	560.60		NIST
Inp	561.20		NIST
Inp	560.80		NIST
Inp	560.50		NIST
Inp	559.70		NIST
Inp	559.20		NIST
Inp	558.40		NIST
Inp	557.80		NIST
Inp	549.00		NIST
Inp	551.80		NIST
Inp	553.00		NIST
Inp	551.50		NIST
Inp	552.90		NIST
Inp	554.00		NIST
Inp	551.00		NIST
Inp	556.00		NIST
Inp	551.00		NIST
Inp	553.00		NIST
Inp	549.33		NIST
Inp	554.00		NIST
Inp	550.00		NIST
Inp	552.00		NIST
Inp	554.00		NIST
Inp	555.00		NIST
Inp	555.00		NIST
Inp	562.70		NIST
Inp	556.50		NIST
Inp	554.00		NIST
Inp	548.00		NIST
Inp	545.00		NIST
Inp	550.30		NIST
Inp	Outlier 591.00		NIST
Inp	551.00		NIST
Inp	556.00		NIST
Inp	560.00		NIST
Inp	548.00		NIST
Inp	Outlier 584.00		NIST
Inp	559.00		NIST
Inp	543.00		NIST
Inp	555.00		NIST
Inp	555.00		NIST
Inp	554.00		NIST
Inp	563.00		NIST
Inp	557.00		NIST
Inp	560.00		NIST
Inp	546.00		NIST
Inp	Outlier 592.00		NIST
Inp	Outlier 592.00		NIST
Inp	563.00		NIST
Inp	551.00		NIST
Inp	556.00		NIST
Inp	543.00		NIST
Inp	545.00		NIST
Inp	562.70		NIST
Tboil	[326.15; 327.40]	K
Tboil	327.30	K	KDB
Tboil	327.00	K	NIST
Tboil	327.40	K	NIST
Tboil	327.37 ± 0.20	K	NIST
Tboil	Outlier 326.15 ± 2.00	K	NIST
Tboil	327.33 ± 0.20	K	NIST
Tboil	327.35 ± 0.50	K	NIST
Tboil	327.33 ± 0.30	K	NIST
Tboil	326.75 ± 0.50	K	NIST
Tboil	327.33 ± 0.40	K	NIST
Tboil	327.35 ± 0.40	K	NIST
Tboil	326.95 ± 0.50	K	NIST
Tboil	326.95 ± 0.60	K	NIST
Tboil	326.95 ± 0.60	K	NIST
Tc	495.30	K	KDB
Tfus	[118.60; 120.00]	K
Tfus	120.00	K	KDB
Tfus	118.60 ± 0.50	K	NIST
Tfus	118.60 ± 1.00	K	NIST
Vc	0.346	m3/kmol	KDB
Zc	0.2768180		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
ΔvapH	[26.90; 30.00]	kJ/mol	[299.00; 327.30]
ΔvapH	30.00	kJ/mol	299.00	NIST
ΔvapH	26.90	kJ/mol	327.30	KDB
n0	1.38133		298.15	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[235.26; 350.33]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42678e+01
Coefficient B			-2.86795e+03
Coefficient C			-3.01180e+01
Temperature range, min.			235.26
Temperature range, max.			350.33
Pvap	1.33	kPa	235.26	Calculated Property
Pvap	3.03	kPa	248.05	Calculated Property
Pvap	6.28	kPa	260.83	Calculated Property
Pvap	12.06	kPa	273.62	Calculated Property
Pvap	21.70	kPa	286.40	Calculated Property
Pvap	36.93	kPa	299.19	Calculated Property
Pvap	59.89	kPa	311.97	Calculated Property
Pvap	93.14	kPa	324.76	Calculated Property
Pvap	139.62	kPa	337.54	Calculated Property
Pvap	202.64	kPa	350.33	Calculated Property
Pvap	[2.34e-08; 3245.81]	kPa	[120.20; 495.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.84660e+01
Coefficient B			-5.90299e+03
Coefficient C			-9.82952e+00
Coefficient D			1.03342e-05
Temperature range, min.			120.20
Temperature range, max.			495.00
Pvap	2.34e-08	kPa	120.20	Calculated Property
Pvap	4.37e-04	kPa	161.84	Calculated Property
Pvap	0.09	kPa	203.49	Calculated Property
Pvap	2.52	kPa	245.13	Calculated Property
Pvap	22.41	kPa	286.78	Calculated Property
Pvap	104.77	kPa	328.42	Calculated Property
Pvap	330.79	kPa	370.07	Calculated Property
Pvap	814.99	kPa	411.71	Calculated Property
Pvap	1711.94	kPa	453.36	Calculated Property
Pvap	3245.81	kPa	495.00	Calculated Property

Similar Compounds

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

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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