Chemical Properties of 2-Heptene, 4-methyl-, (E)- (CAS 66225-17-0)

InChI

InChI=1S/C8H16/c1-4-6-8(3)7-5-2/h4,6,8H,5,7H2,1-3H3/b6-4+

InChI Key

SVGLFIBXFVQUQY-GQCTYLIASA-N

Formula

C8H16

SMILES

CC=CC(C)CCC

Molecular Weight¹

112.21

CAS

66225-17-0

Other Names

• (2E)-4-Methyl-2-heptene
• (E)-2-Heptene, 4-methyl
• (E)-4-METHYL-2-HEPTENE
• (E)-4-Methylhept-2-ene
• 4-Methyl-2-heptene (trans)
• 4-Methyl-trans-2-heptene
• trans-4-Methyl-2-heptene

• 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_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).
• 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	0.2977		Relay (1.0) Calculated Property
ΔfG°	94.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-121.08	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.15	kJ/mol	Joback Calculated Property
ΔvapH°	38.90	kJ/mol	NIST
IE	8.92	eV	Relay (1.0) Calculated Property
log10WS	-4.13		Relay (1.0) Calculated Property
logPoct/wat	2.999		Crippen Calculated Property
McVol	119.280	ml/mol	McGowan Calculated Property
Pc	2695.80	kPa	Joback Calculated Property
Inp	[748.60; 776.00]
Inp	757.30		NIST
Inp	748.60		NIST
Inp	760.00		NIST
Inp	762.00		NIST
Inp	763.00		NIST
Inp	753.00		NIST
Inp	756.00		NIST
Inp	Outlier 776.00		NIST
Inp	756.00		NIST
Inp	751.00		NIST
Inp	757.00		NIST
Inp	757.00		NIST
Inp	758.00		NIST
Inp	759.00		NIST
Inp	757.00		NIST
Tboil	384.38	K	Relay (1.0) Calculated Property
Tc	539.56	K	Relay (1.0) Calculated Property
Tfus	158.68	K	Relay (1.0) Calculated Property
Vc	0.435	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[217.94; 289.43]	J/mol×K	[386.16; 562.05]
Cp,gas	217.94	J/mol×K	386.16	Joback Calculated Property
Cp,gas	231.23	J/mol×K	415.47	Joback Calculated Property
Cp,gas	243.94	J/mol×K	444.79	Joback Calculated Property
Cp,gas	256.10	J/mol×K	474.10	Joback Calculated Property
Cp,gas	267.72	J/mol×K	503.42	Joback Calculated Property
Cp,gas	278.83	J/mol×K	532.73	Joback Calculated Property
Cp,gas	289.43	J/mol×K	562.05	Joback Calculated Property
η	[0.0001950; 0.0101457]	Pa×s	[159.84; 386.16]
η	0.0101457	Pa×s	159.84	Joback Calculated Property
η	0.0028001	Pa×s	197.56	Joback Calculated Property
η	0.0011677	Pa×s	235.28	Joback Calculated Property
η	0.0006201	Pa×s	273.00	Joback Calculated Property
η	0.0003840	Pa×s	310.72	Joback Calculated Property
η	0.0002638	Pa×s	348.44	Joback Calculated Property
η	0.0001950	Pa×s	386.16	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[282.33; 421.89]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.36041e+01
Coefficient B			-3.06747e+03
Coefficient C			-5.19840e+01
Temperature range, min.			282.33
Temperature range, max.			421.89
Pvap	1.33	kPa	282.33	Calculated Property
Pvap	3.09	kPa	297.84	Calculated Property
Pvap	6.47	kPa	313.34	Calculated Property
Pvap	12.49	kPa	328.85	Calculated Property
Pvap	22.48	kPa	344.36	Calculated Property
Pvap	38.12	kPa	359.86	Calculated Property
Pvap	61.47	kPa	375.37	Calculated Property
Pvap	94.88	kPa	390.88	Calculated Property
Pvap	140.99	kPa	406.38	Calculated Property
Pvap	202.66	kPa	421.89	Calculated Property

Similar Compounds

Find more compounds similar to 2-Heptene, 4-methyl-, (E)-.

Sources

• 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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