Chemical Properties of 1-Octene, 3,7-dimethyl- (CAS 4984-01-4)

InChI

InChI=1S/C10H20/c1-5-10(4)8-6-7-9(2)3/h5,9-10H,1,6-8H2,2-4H3

InChI Key

KSXTZYRIJKDCEA-UHFFFAOYSA-N

Formula

C10H20

SMILES

C=CC(C)CCCC(C)C

Molecular Weight¹

140.27

CAS

4984-01-4

Other Names

• 2,6-Dimethyl-7-octene
• 3,7-Dimethyl-1-octene
• 3,7-Dimethyloct-1-ene
• NSC 157589

• 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).
• 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	0.3685		Relay (1.0) Calculated Property
ΔfG°	116.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-166.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.33	kJ/mol	Joback Calculated Property
ΔvapH°	47.03	kJ/mol	Relay (1.0) Calculated Property
IE	9.37	eV	Relay (1.0) Calculated Property
logPoct/wat	3.635		Crippen Calculated Property
McVol	147.460	ml/mol	McGowan Calculated Property
Pc	2224.99	kPa	Joback Calculated Property
Inp	[963.00; 963.00]
Inp	963.00		NIST
Inp	963.00		NIST
Tboil	424.49	K	Relay (1.0) Calculated Property
Tc	587.84	K	Relay (1.0) Calculated Property
Tfus	190.90	K	Relay (1.0) Calculated Property
Vc	0.544	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[207.18; 507.80]	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			-1.25570e+01
Coefficient B			9.45660e-01
Coefficient C			-5.49500e-04
Coefficient D			1.24200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	207.18	J/mol×K	273.00	Calculated Property
Cp,gas	258.72	J/mol×K	353.78	Calculated Property
Cp,gas	304.81	J/mol×K	434.56	Calculated Property
Cp,gas	345.84	J/mol×K	515.33	Calculated Property
Cp,gas	382.21	J/mol×K	596.11	Calculated Property
Cp,gas	414.30	J/mol×K	676.89	Calculated Property
Cp,gas	442.51	J/mol×K	757.67	Calculated Property
Cp,gas	467.24	J/mol×K	838.44	Calculated Property
Cp,gas	488.87	J/mol×K	919.22	Calculated Property
Cp,gas	507.80	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0178939; 0.0002249]	Pa×s	[170.70; 418.11]	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			-1.14194e+01
Coefficient B			1.26252e+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.			170.70
Temperature range, max.			418.11
η	0.0178939	Pa×s	170.70	Calculated Property
η	0.0064147	Pa×s	198.19	Calculated Property
η	0.0029525	Pa×s	225.68	Calculated Property
η	0.0016083	Pa×s	253.17	Calculated Property
η	0.0009868	Pa×s	280.66	Calculated Property
η	0.0006606	Pa×s	308.15	Calculated Property
η	0.0004723	Pa×s	335.64	Calculated Property
η	0.0003553	Pa×s	363.13	Calculated Property
η	0.0002782	Pa×s	390.62	Calculated Property
η	0.0002249	Pa×s	418.11	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[319.22; 470.58]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.39187e+01
Coefficient B			-3.53486e+03
Coefficient C			-5.98980e+01
Temperature range, min.			319.22
Temperature range, max.			470.58
Pvap	1.33	kPa	319.22	Calculated Property
Pvap	3.06	kPa	336.04	Calculated Property
Pvap	6.38	kPa	352.86	Calculated Property
Pvap	12.28	kPa	369.67	Calculated Property
Pvap	22.09	kPa	386.49	Calculated Property
Pvap	37.54	kPa	403.31	Calculated Property
Pvap	60.70	kPa	420.13	Calculated Property
Pvap	94.03	kPa	436.94	Calculated Property
Pvap	140.32	kPa	453.76	Calculated Property
Pvap	202.64	kPa	470.58	Calculated Property

Similar Compounds

Find more compounds similar to 1-Octene, 3,7-dimethyl-.

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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