Chemical Properties of 1-OCTENE, 3-METHYL- (CAS ---)

InChI

InChI=1S/C9H18/c1-4-6-7-8-9(3)5-2/h5,9H,2,4,6-8H2,1,3H3

InChI Key

GLUPFQMLFXGTNL-UHFFFAOYSA-N

Formula

C9H18

SMILES

C=CC(C)CCCCC

Molecular Weight¹

126.24

CAS

---

Other Names

• 3-Methyl-1-octene

• 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	0.3508		Relay (1.0) Calculated Property
ΔfG°	110.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-125.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.26	kJ/mol	Joback Calculated Property
ΔvapH°	42.91	kJ/mol	Relay (1.0) Calculated Property
IE	9.41	eV	Relay (1.0) Calculated Property
log10WS	-4.88		Relay (1.0) Calculated Property
logPoct/wat	3.389		Crippen Calculated Property
McVol	133.370	ml/mol	McGowan Calculated Property
Pc	2421.88	kPa	Joback Calculated Property
Inp	[835.00; 843.00]
Inp	840.00		NIST
Inp	840.00		NIST
Inp	835.00		NIST
Inp	839.00		NIST
Inp	843.00		NIST
Inp	839.00		NIST
Inp	843.00		NIST
Tboil	[409.50; 411.39]	K
Tboil	411.39 ± 0.40	K	NIST
Tboil	409.50 ± 1.50	K	NIST
Tc	573.05	K	Relay (1.0) Calculated Property
Tfus	182.01	K	Relay (1.0) Calculated Property
Vc	0.501	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[186.28; 455.67]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-9.96600e+00
Coefficient B			8.44740e-01
Coefficient C			-4.91900e-04
Coefficient D			1.12800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	186.28	J/mol×K	273.00	Calculated Property
Cp,gas	232.31	J/mol×K	353.78	Calculated Property
Cp,gas	273.49	J/mol×K	434.56	Calculated Property
Cp,gas	310.16	J/mol×K	515.33	Calculated Property
Cp,gas	342.69	J/mol×K	596.11	Calculated Property
Cp,gas	371.43	J/mol×K	676.89	Calculated Property
Cp,gas	396.75	J/mol×K	757.67	Calculated Property
Cp,gas	418.99	J/mol×K	838.44	Calculated Property
Cp,gas	438.51	J/mol×K	919.22	Calculated Property
Cp,gas	455.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0090007; 0.0002322]	Pa×s	[174.43; 400.33]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.11918e+01
Coefficient B			1.13054e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			174.43
Temperature range, max.			400.33
η	0.0090007	Pa×s	174.43	Calculated Property
η	0.0039827	Pa×s	199.53	Calculated Property
η	0.0021146	Pa×s	224.63	Calculated Property
η	0.0012751	Pa×s	249.73	Calculated Property
η	0.0008433	Pa×s	274.83	Calculated Property
η	0.0005977	Pa×s	299.93	Calculated Property
η	0.0004467	Pa×s	325.03	Calculated Property
η	0.0003481	Pa×s	350.13	Calculated Property
η	0.0002805	Pa×s	375.23	Calculated Property
η	0.0002322	Pa×s	400.33	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[318.52; 440.90]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.59744e+01
Coefficient B			-4.07439e+03
Coefficient C			-5.87860e+01
Temperature range, min.			318.52
Temperature range, max.			440.90
Pvap	1.33	kPa	318.52	Calculated Property
Pvap	2.91	kPa	332.12	Calculated Property
Pvap	5.90	kPa	345.72	Calculated Property
Pvap	11.21	kPa	359.31	Calculated Property
Pvap	20.16	kPa	372.91	Calculated Property
Pvap	34.53	kPa	386.51	Calculated Property
Pvap	56.67	kPa	400.11	Calculated Property
Pvap	89.53	kPa	413.70	Calculated Property
Pvap	136.75	kPa	427.30	Calculated Property
Pvap	202.67	kPa	440.90	Calculated Property

Similar Compounds

Find more compounds similar to 1-OCTENE, 3-METHYL-.

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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