Chemical Properties of 1-Octene, 2-methyl- (CAS 4588-18-5)

InChI

InChI=1S/C9H18/c1-4-5-6-7-8-9(2)3/h2,4-8H2,1,3H3

InChI Key

FBEDQPGLIKZGIN-UHFFFAOYSA-N

Formula

C9H18

SMILES

C=C(C)CCCCCC

Molecular Weight¹

126.24

CAS

4588-18-5

Other Names

• 2-METHYLOCT-1-ENE
• 2-Methyl-1-octene

• 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°	104.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-113.45	kJ/mol	Joback Calculated Property
ΔfusH°	16.48	kJ/mol	Joback Calculated Property
ΔvapH°	35.04	kJ/mol	Joback Calculated Property
log10WS	-3.44		Crippen Calculated Property
logPoct/wat	3.533		Crippen Calculated Property
McVol	133.370	ml/mol	McGowan Calculated Property
Pc	2414.74	kPa	Joback Calculated Property
Inp	[858.00; 898.00]
Inp	880.00		NIST
Inp	881.00		NIST
Inp	882.00		NIST
Inp	874.00		NIST
Inp	874.00		NIST
Inp	868.00		NIST
Inp	874.00		NIST
Inp	860.00		NIST
Inp	881.00		NIST
Inp	883.00		NIST
Inp	874.00		NIST
Inp	858.00		NIST
Inp	876.00		NIST
Inp	880.00		NIST
Inp	Outlier 898.00		NIST
Inp	880.00		NIST
Inp	868.00		NIST
Inp	Outlier 898.00		NIST
Inp	860.00		NIST
Tboil	[415.00; 418.00]	K
Tboil	417.61 ± 0.30	K	NIST
Tboil	418.00 ± 0.20	K	NIST
Tboil	417.95 ± 0.25	K	NIST
Tboil	416.30 ± 2.00	K	NIST
Tboil	416.00 ± 4.00	K	NIST
Tboil	415.00 ± 5.00	K	NIST
Tc	571.36	K	Joback Calculated Property
Tfus	195.29 ± 0.20	K	NIST
Vc	0.521	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[257.27; 332.43]	J/mol×K	[401.88; 571.36]
Cp,gas	257.27	J/mol×K	401.88	Joback Calculated Property
Cp,gas	271.11	J/mol×K	430.13	Joback Calculated Property
Cp,gas	284.40	J/mol×K	458.37	Joback Calculated Property
Cp,gas	297.17	J/mol×K	486.62	Joback Calculated Property
Cp,gas	309.42	J/mol×K	514.87	Joback Calculated Property
Cp,gas	321.16	J/mol×K	543.11	Joback Calculated Property
Cp,gas	332.43	J/mol×K	571.36	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[305.51; 444.70]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.44084e+01
Coefficient B			-3.55904e+03
Coefficient C			-5.34660e+01
Temperature range, min.			305.51
Temperature range, max.			444.70
Pvap	1.33	kPa	305.51	Calculated Property
Pvap	3.02	kPa	320.98	Calculated Property
Pvap	6.24	kPa	336.44	Calculated Property
Pvap	11.98	kPa	351.91	Calculated Property
Pvap	21.55	kPa	367.37	Calculated Property
Pvap	36.70	kPa	382.84	Calculated Property
Pvap	59.59	kPa	398.30	Calculated Property
Pvap	92.81	kPa	413.77	Calculated Property
Pvap	139.36	kPa	429.23	Calculated Property
Pvap	202.65	kPa	444.70	Calculated Property

Similar Compounds

Find more compounds similar to 1-Octene, 2-methyl-.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.