Chemical Properties of 2-Pentene, 3-methyl-, (Z)- (CAS 922-62-3)

InChI

InChI=1S/C6H12/c1-4-6(3)5-2/h4H,5H2,1-3H3/b6-4-

InChI Key

BEQGRRJLJLVQAQ-XQRVVYSFSA-N

Formula

C6H12

SMILES

CC=C(C)CC

Molecular Weight¹

84.16

CAS

922-62-3

Other Names

• (Z)-3-Methyl-2-pentene
• (Z)-3-methylpent-2-ene
• (Z)-CH3CH=C(CH3)C2H5
• 3-Methyl-2-pentene, cis
• 3-Methyl-cis-2-pentene
• cis-3-Methyl-2-pentene

• 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_fH°_liquid : Liquid phase 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).
• 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.
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• γ : Surface Tension (N/m).
• 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	0.2690		KDB
ΔfG°	73.27	kJ/mol	KDB
Δc,grossH	3981.70	kJ/mol	KDB
Δc,netH	3717.610	kJ/mol	KDB
ΔfH°gas	[-62.22; -61.88]	kJ/mol
ΔfH°gas	-62.22	kJ/mol	KDB
ΔfH°gas	-61.88 ± 0.88	kJ/mol	NIST
ΔfH°liquid	-94.06 ± 0.84	kJ/mol	NIST
ΔfusH°	10.19	kJ/mol	Joback Calculated Property
ΔvapH°	[31.30; 32.10]	kJ/mol
ΔvapH°	31.30	kJ/mol	NIST
ΔvapH°	32.10	kJ/mol	NIST
ΔvapH°	32.10	kJ/mol	NIST
IE	[8.58; 8.58]	eV
IE	8.58	eV	NIST
IE	8.58	eV	NIST
logPoct/wat	2.363		Crippen Calculated Property
McVol	91.100	ml/mol	McGowan Calculated Property
Pc	3280.00	kPa	KDB
Inp	[600.00; 619.00]
Inp	610.20		NIST
Inp	601.80		NIST
Inp	613.00		NIST
Inp	610.00		NIST
Inp	610.00		NIST
Inp	610.00		NIST
Inp	610.00		NIST
Inp	610.00		NIST
Inp	610.00		NIST
Inp	610.00		NIST
Inp	611.00		NIST
Inp	614.80		NIST
Inp	615.00		NIST
Inp	615.20		NIST
Inp	615.50		NIST
Inp	615.70		NIST
Inp	616.00		NIST
Inp	610.00		NIST
Inp	610.00		NIST
Inp	610.60		NIST
Inp	611.30		NIST
Inp	612.00		NIST
Inp	612.70		NIST
Inp	613.40		NIST
Inp	611.00		NIST
Inp	611.30		NIST
Inp	611.00		NIST
Inp	611.00		NIST
Inp	610.90		NIST
Inp	610.90		NIST
Inp	617.00		NIST
Inp	603.00		NIST
Inp	612.10		NIST
Inp	602.40		NIST
Inp	603.00		NIST
Inp	603.00		NIST
Inp	601.55		NIST
Inp	602.00		NIST
Inp	602.00		NIST
Inp	603.00		NIST
Inp	605.00		NIST
Inp	605.00		NIST
Inp	613.00		NIST
Inp	612.50		NIST
Inp	613.00		NIST
Inp	615.00		NIST
Inp	606.00		NIST
Inp	610.54		NIST
Inp	611.00		NIST
Inp	611.00		NIST
Inp	608.00		NIST
Inp	602.60		NIST
Inp	613.00		NIST
Inp	Outlier 619.00		NIST
Inp	607.00		NIST
Inp	610.00		NIST
Inp	610.00		NIST
Inp	611.00		NIST
Inp	609.00		NIST
Inp	610.00		NIST
Inp	611.00		NIST
Inp	611.00		NIST
Inp	613.00		NIST
Inp	613.00		NIST
Inp	614.00		NIST
Inp	Outlier 600.00		NIST
I	[660.00; 672.00]
I	672.00		NIST
I	660.00		NIST
Tboil	[338.55; 343.67]	K
Tboil	340.90	K	KDB
Tboil	340.90	K	NIST
Tboil	340.86 ± 0.20	K	NIST
Tboil	Outlier 343.67 ± 0.50	K	NIST
Tboil	340.84 ± 0.30	K	NIST
Tboil	340.85 ± 0.50	K	NIST
Tboil	340.85 ± 0.30	K	NIST
Tboil	341.15 ± 1.00	K	NIST
Tboil	340.95 ± 0.50	K	NIST
Tboil	340.65 ± 0.70	K	NIST
Tboil	340.95 ± 0.20	K	NIST
Tboil	340.95 ± 0.60	K	NIST
Tboil	338.55 ± 1.00	K	NIST
Tboil	341.15 ± 1.00	K	NIST
Tboil	339.10 ± 2.00	K	NIST
Tboil	338.80 ± 2.00	K	NIST
Tboil	339.10 ± 1.00	K	NIST
Tboil	338.55 ± 3.00	K	NIST
Tc	518.00	K	KDB
Tfus	[137.40; 138.31]	K
Tfus	138.30	K	KDB
Tfus	138.31 ± 0.05	K	NIST
Tfus	137.40 ± 0.60	K	NIST
Tfus	137.75 ± 0.20	K	NIST
Vc	0.351	m3/kmol	KDB
Zc	0.2673100		KDB

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[145.07; 201.67]	J/mol×K	[340.72; 516.68]
Cp,gas	145.07	J/mol×K	340.72	Joback Calculated Property
Cp,gas	155.60	J/mol×K	370.05	Joback Calculated Property
Cp,gas	165.66	J/mol×K	399.37	Joback Calculated Property
Cp,gas	175.29	J/mol×K	428.70	Joback Calculated Property
Cp,gas	184.49	J/mol×K	458.03	Joback Calculated Property
Cp,gas	193.27	J/mol×K	487.36	Joback Calculated Property
Cp,gas	201.67	J/mol×K	516.68	Joback Calculated Property
ΔvapH	[28.83; 32.20]	kJ/mol	[312.00; 340.90]
ΔvapH	32.20	kJ/mol	312.00	NIST
ΔvapH	28.83	kJ/mol	340.90	KDB
n0	1.39876		298.15	KDB
ρl	694.00	kg/m3	293.00	KDB
γ	0.02	N/m	298.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[245.49; 364.70]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42373e+01
Coefficient B			-2.95465e+03
Coefficient C			-3.36810e+01
Temperature range, min.			245.49
Temperature range, max.			364.70
Pvap	1.33	kPa	245.49	Calculated Property
Pvap	3.03	kPa	258.74	Calculated Property
Pvap	6.29	kPa	271.98	Calculated Property
Pvap	12.08	kPa	285.23	Calculated Property
Pvap	21.73	kPa	298.47	Calculated Property
Pvap	36.98	kPa	311.72	Calculated Property
Pvap	59.96	kPa	324.96	Calculated Property
Pvap	93.21	kPa	338.21	Calculated Property
Pvap	139.67	kPa	351.45	Calculated Property
Pvap	202.63	kPa	364.70	Calculated Property
Pvap	[8.32e-07; 3404.43]	kPa	[138.31; 515.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			6.85178e+01
Coefficient B			-5.87552e+03
Coefficient C			-8.14977e+00
Coefficient D			7.21031e-06
Temperature range, min.			138.31
Temperature range, max.			515.00
Pvap	8.32e-07	kPa	138.31	Calculated Property
Pvap	2.05e-03	kPa	180.16	Calculated Property
Pvap	0.20	kPa	222.02	Calculated Property
Pvap	3.72	kPa	263.87	Calculated Property
Pvap	28.08	kPa	305.73	Calculated Property
Pvap	121.58	kPa	347.58	Calculated Property
Pvap	369.86	kPa	389.44	Calculated Property
Pvap	891.59	kPa	431.29	Calculated Property
Pvap	1837.60	kPa	473.15	Calculated Property
Pvap	3404.43	kPa	515.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Pentene, 3-methyl-, (Z)-.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
These property values are available through the Cheméo API. A free account gives you an access key.