Chemical Properties of 3-Methyl-2-octene (CAS 113426-22-5)

InChI

InChI=1S/C9H18/c1-4-6-7-8-9(3)5-2/h5H,4,6-8H2,1-3H3/b9-5-

InChI Key

VOKPUAYTTWEUPZ-WEVVVXLNSA-N

Formula

C9H18

SMILES

C/C=C(\C)CCCCC

Molecular Weight¹

126.24

CAS

113426-22-5

• ω : Acentric Factor.
• 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).
• 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	0.3541		Relay (1.0) Calculated Property
ΔfG°	96.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-125.01	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.96	kJ/mol	Joback Calculated Property
ΔvapH°	42.95	kJ/mol	Relay (1.0) Calculated Property
IE	8.58	eV	Relay (1.0) Calculated Property
log10WS	-4.95		Relay (1.0) Calculated Property
logPoct/wat	3.533		Crippen Calculated Property
McVol	133.370	ml/mol	McGowan Calculated Property
Pc	2438.65	kPa	Joback Calculated Property
Inp	[789.00; 789.00]
Inp	789.00		NIST
Inp	789.00		NIST
Tboil	419.79	K	Relay (1.0) Calculated Property
Tc	588.49	K	Relay (1.0) Calculated Property
Tfus	175.28	K	Relay (1.0) Calculated Property
Vc	0.499	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[258.03; 334.62]	J/mol×K	[409.36; 583.79]
Cp,gas	258.03	J/mol×K	409.36	Joback Calculated Property
Cp,gas	272.25	J/mol×K	438.43	Joback Calculated Property
Cp,gas	285.86	J/mol×K	467.50	Joback Calculated Property
Cp,gas	298.88	J/mol×K	496.58	Joback Calculated Property
Cp,gas	311.33	J/mol×K	525.65	Joback Calculated Property
Cp,gas	323.24	J/mol×K	554.72	Joback Calculated Property
Cp,gas	334.62	J/mol×K	583.79	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[312.02; 443.17]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.50654e+01
Coefficient B			-3.76278e+03
Coefficient C			-5.73960e+01
Temperature range, min.			312.02
Temperature range, max.			443.17
Pvap	1.33	kPa	312.02	Calculated Property
Pvap	2.97	kPa	326.59	Calculated Property
Pvap	6.08	kPa	341.16	Calculated Property
Pvap	11.62	kPa	355.74	Calculated Property
Pvap	20.91	kPa	370.31	Calculated Property
Pvap	35.71	kPa	384.88	Calculated Property
Pvap	58.26	kPa	399.45	Calculated Property
Pvap	91.33	kPa	414.03	Calculated Property
Pvap	138.19	kPa	428.60	Calculated Property
Pvap	202.66	kPa	443.17	Calculated Property

Similar Compounds

Find more compounds similar to 3-Methyl-2-octene.

Sources

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

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