Chemical Properties of (E)-3-Methylhept-2-ene (CAS 22768-20-3)

InChI

InChI=1S/C8H16/c1-4-6-7-8(3)5-2/h5H,4,6-7H2,1-3H3/b8-5+

InChI Key

OFKLSPUVNMOIJB-VMPITWQZSA-N

Formula

C8H16

SMILES

CC=C(C)CCCC

Molecular Weight¹

112.21

CAS

22768-20-3

Other Names

• (E)-2-Heptene, 3-methyl
• 2-Heptene, 3-methyl-, (E)-
• 3-Methyl-trans-2-heptene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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
ΔfG°	88.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-101.02	kJ/mol	Joback Calculated Property
ΔfusH°	15.37	kJ/mol	Joback Calculated Property
ΔvapH°	39.70	kJ/mol	NIST
log10WS	-3.02		Crippen Calculated Property
logPoct/wat	3.143		Crippen Calculated Property
McVol	119.280	ml/mol	McGowan Calculated Property
Pc	2687.42	kPa	Joback Calculated Property
Inp	[797.00; 806.60]
Inp	806.60		NIST
Inp	797.20		NIST
Inp	798.00		NIST
Inp	797.00		NIST
Inp	797.50		NIST
Inp	806.00		NIST
Inp	806.00		NIST
Inp	806.00		NIST
Tboil	386.48	K	Joback Calculated Property
Tc	561.75	K	Joback Calculated Property
Tfus	160.88	K	Joback Calculated Property
Vc	0.465	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[218.03; 288.64]	J/mol×K	[386.48; 561.75]
Cp,gas	218.03	J/mol×K	386.48	Joback Calculated Property
Cp,gas	231.15	J/mol×K	415.69	Joback Calculated Property
Cp,gas	243.70	J/mol×K	444.90	Joback Calculated Property
Cp,gas	255.70	J/mol×K	474.11	Joback Calculated Property
Cp,gas	267.18	J/mol×K	503.32	Joback Calculated Property
Cp,gas	278.15	J/mol×K	532.54	Joback Calculated Property
Cp,gas	288.64	J/mol×K	561.75	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[287.53; 419.65]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.44013e+01
Coefficient B			-3.37398e+03
Coefficient C			-4.84700e+01
Temperature range, min.			287.53
Temperature range, max.			419.65
Pvap	1.33	kPa	287.53	Calculated Property
Pvap	3.02	kPa	302.21	Calculated Property
Pvap	6.24	kPa	316.89	Calculated Property
Pvap	11.98	kPa	331.57	Calculated Property
Pvap	21.56	kPa	346.25	Calculated Property
Pvap	36.71	kPa	360.93	Calculated Property
Pvap	59.60	kPa	375.61	Calculated Property
Pvap	92.82	kPa	390.29	Calculated Property
Pvap	139.36	kPa	404.97	Calculated Property
Pvap	202.63	kPa	419.65	Calculated Property

Similar Compounds

Find more compounds similar to (E)-3-Methylhept-2-ene.

Sources

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

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