Chemical Properties of Pentane, 3-methylene- (CAS 760-21-4)

InChI

InChI=1S/C6H12/c1-4-6(3)5-2/h3-5H2,1-2H3

InChI Key

RYKZRKKEYSRDNF-UHFFFAOYSA-N

Formula

C6H12

SMILES

C=C(CC)CC

Molecular Weight¹

84.16

CAS

760-21-4

Other Names

• (C2H5)2C=CH2
• 1,1-Diethylethene
• 1-Butene, 2-ethyl-
• 2-Ethyl-1-butene
• 2-ethylbut-1-ene
• 3-Methylenepentane

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2343		Relay (1.0) Calculated Property
ΔfH°gas	-56.07 ± 0.88	kJ/mol	NIST
ΔfH°liquid	-87.20 ± 0.80	kJ/mol	NIST
ΔfusH°	8.71	kJ/mol	Joback Calculated Property
ΔvapH°	[31.00; 31.00]	kJ/mol
ΔvapH°	31.00	kJ/mol	NIST
ΔvapH°	31.00	kJ/mol	NIST
IE	[9.01; 9.06]	eV
IE	9.06 ± 0.02	eV	NIST
IE	9.01	eV	NIST
IE	9.06 ± 0.01	eV	NIST
log10WS	-3.06		Relay (1.0) Calculated Property
logPoct/wat	2.363		Crippen Calculated Property
McVol	91.100	ml/mol	McGowan Calculated Property
Pc	3276.53	kPa	Joback Calculated Property
Inp	[584.00; 608.00]
Inp	599.00		NIST
Inp	592.10		NIST
Inp	599.00		NIST
Inp	599.00		NIST
Inp	Outlier 608.00		NIST
Inp	592.00		NIST
Inp	592.00		NIST
Inp	Outlier 584.00		NIST
Inp	592.00		NIST
Inp	592.00		NIST
Inp	592.00		NIST
Inp	592.00		NIST
Inp	592.00		NIST
Inp	594.00		NIST
Inp	593.00		NIST
Inp	587.00		NIST
Inp	598.80		NIST
Inp	599.00		NIST
Inp	599.00		NIST
Inp	592.20		NIST
Inp	592.00		NIST
Inp	593.00		NIST
Inp	599.00		NIST
Inp	599.00		NIST
Inp	599.00		NIST
Inp	599.00		NIST
Inp	599.00		NIST
Inp	592.00		NIST
Inp	Outlier 608.00		NIST
Inp	600.00		NIST
Inp	594.00		NIST
Inp	599.00		NIST
Inp	592.00		NIST
Inp	587.00		NIST
Inp	592.20		NIST
Inp	598.80		NIST
Tboil	[337.84; 340.65]	K
Tboil	337.90	K	NIST
Tboil	338.10 ± 1.00	K	NIST
Tboil	Outlier 340.65 ± 5.00	K	NIST
Tboil	337.84 ± 0.30	K	NIST
Tboil	337.95 ± 0.40	K	NIST
Tboil	338.15 ± 1.00	K	NIST
Tboil	337.84 ± 0.30	K	NIST
Tboil	337.85 ± 0.30	K	NIST
Tboil	337.85 ± 0.30	K	NIST
Tboil	337.95 ± 0.60	K	NIST
Tboil	339.75 ± 1.00	K	NIST
Tboil	339.60 ± 0.60	K	NIST
Tboil	339.60 ± 1.50	K	NIST
Tc	497.27	K	Relay (1.0) Calculated Property
Tfus	[141.13; 141.17]	K
Tfus	141.13 ± 0.20	K	NIST
Tfus	141.17 ± 0.30	K	NIST
Vc	0.339	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation 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	[145.82; 200.57]	J/mol×K	[333.24; 503.41]
Cp,gas	145.82	J/mol×K	333.24	Joback Calculated Property
Cp,gas	155.88	J/mol×K	361.60	Joback Calculated Property
Cp,gas	165.55	J/mol×K	389.96	Joback Calculated Property
Cp,gas	174.84	J/mol×K	418.33	Joback Calculated Property
Cp,gas	183.77	J/mol×K	446.69	Joback Calculated Property
Cp,gas	192.34	J/mol×K	475.05	Joback Calculated Property
Cp,gas	200.57	J/mol×K	503.41	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[242.58; 361.85]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.40243e+01
Coefficient B			-2.84136e+03
Coefficient C			-3.57390e+01
Temperature range, min.			242.58
Temperature range, max.			361.85
Pvap	1.33	kPa	242.58	Calculated Property
Pvap	3.05	kPa	255.83	Calculated Property
Pvap	6.35	kPa	269.08	Calculated Property
Pvap	12.21	kPa	282.34	Calculated Property
Pvap	21.97	kPa	295.59	Calculated Property
Pvap	37.35	kPa	308.84	Calculated Property
Pvap	60.45	kPa	322.09	Calculated Property
Pvap	93.75	kPa	335.35	Calculated Property
Pvap	140.10	kPa	348.60	Calculated Property
Pvap	202.64	kPa	361.85	Calculated Property
Pvap	[2.74e-06; 3177.77]	kPa	[141.61; 512.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			5.84051e+01
Coefficient B			-5.53757e+03
Coefficient C			-6.49779e+00
Coefficient D			3.85159e-06
Temperature range, min.			141.61
Temperature range, max.			512.00
Pvap	2.74e-06	kPa	141.61	Calculated Property
Pvap	3.67e-03	kPa	182.76	Calculated Property
Pvap	0.27	kPa	223.92	Calculated Property
Pvap	4.61	kPa	265.07	Calculated Property
Pvap	32.71	kPa	306.23	Calculated Property
Pvap	136.22	kPa	347.38	Calculated Property
Pvap	400.16	kPa	388.54	Calculated Property
Pvap	927.44	kPa	429.69	Calculated Property
Pvap	1821.26	kPa	470.85	Calculated Property
Pvap	3177.77	kPa	512.00	Calculated Property

Similar Compounds

Find more compounds similar to Pentane, 3-methylene-.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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