Chemical Properties of 1-Eicosene (CAS 3452-07-1)

InChI

InChI=1S/C20H40/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3H,1,4-20H2,2H3

InChI Key

VAMFXQBUQXONLZ-UHFFFAOYSA-N

Formula

C20H40

SMILES

C=CCCCCCCCCCCCCCCCCCC

Molecular Weight¹

280.53

CAS

3452-07-1

Other Names

• 1-Icosene
• CETYLETHYLENE
• Cetyl ethylene
• EICOSENE
• Eicos-1-ene
• Icos-1-ene
• NSC 77138
• Neodene 20
• «alpha»-Eicosene
• «alpha»-Eicosene

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7700		KDB
ΔfG°	205.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-330.70	kJ/mol	Joback Calculated Property
ΔfusH°	46.28	kJ/mol	Joback Calculated Property
ΔvapH°	100.00	kJ/mol	NIST
log10WS	-8.05		Crippen Calculated Property
logPoct/wat	7.824		Crippen Calculated Property
McVol	288.360	ml/mol	McGowan Calculated Property
Pc	1040.00	kPa	KDB
Inp	[1986.00; 2000.00]
Inp	1997.00		NIST
Inp	1991.00		NIST
Inp	1989.00		NIST
Inp	1990.00		NIST
Inp	1992.00		NIST
Inp	1994.00		NIST
Inp	1995.00		NIST
Inp	1993.00		NIST
Inp	1993.00		NIST
Inp	1994.00		NIST
Inp	1994.00		NIST
Inp	1986.00		NIST
Inp	1996.00		NIST
Inp	1992.00		NIST
Inp	1994.00		NIST
Inp	1987.00		NIST
Inp	1994.00		NIST
Inp	1988.00		NIST
Inp	Outlier 2000.00		NIST
Inp	1991.00		NIST
Inp	Outlier 2000.00		NIST
Inp	1988.00		NIST
Inp	1995.00		NIST
Inp	1988.00		NIST
Inp	1994.00		NIST
Inp	1994.00		NIST
Inp	1994.00		NIST
Inp	1992.00		NIST
Inp	1989.00		NIST
Inp	1993.00		NIST
Inp	1996.00		NIST
Inp	1988.00		NIST
Inp	1995.00		NIST
Inp	1997.00		NIST
I	[2047.00; 2058.00]
I	2058.00		NIST
I	2056.00		NIST
I	2047.00		NIST
I	2047.00		NIST
Tboil	[614.20; 614.90]	K
Tboil	614.90	K	KDB
Tboil	614.20	K	NIST
Tc	765.40	K	KDB
Tfus	302.00	K	KDB
Vc	1.165	m3/kmol	KDB
Zc	0.1903040		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[816.83; 927.37]	J/mol×K	[653.68; 815.37]
Cp,gas	816.83	J/mol×K	653.68	Joback Calculated Property
Cp,gas	837.29	J/mol×K	680.63	Joback Calculated Property
Cp,gas	856.90	J/mol×K	707.58	Joback Calculated Property
Cp,gas	875.68	J/mol×K	734.52	Joback Calculated Property
Cp,gas	893.67	J/mol×K	761.47	Joback Calculated Property
Cp,gas	910.89	J/mol×K	788.42	Joback Calculated Property
Cp,gas	927.37	J/mol×K	815.37	Joback Calculated Property
η	[0.0001018; 0.0034940]	Pa×s	[313.40; 653.68]
η	0.0034940	Pa×s	313.40	Joback Calculated Property
η	0.0012341	Pa×s	370.11	Joback Calculated Property
η	0.0005748	Pa×s	426.83	Joback Calculated Property
η	0.0003202	Pa×s	483.54	Joback Calculated Property
η	0.0002017	Pa×s	540.25	Joback Calculated Property
η	0.0001388	Pa×s	596.97	Joback Calculated Property
η	0.0001018	Pa×s	653.68	Joback Calculated Property
ΔvapH	[56.07; 74.30]	kJ/mol	[558.00; 614.90]
ΔvapH	74.30	kJ/mol	558.00	NIST
ΔvapH	65.00	kJ/mol	594.00	NIST
ΔvapH	56.07	kJ/mol	614.90	KDB

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[469.09; 649.17]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.52499e+01
Coefficient B			-5.33020e+03
Coefficient C			-1.12846e+02
Temperature range, min.			469.09
Temperature range, max.			649.17
Pvap	1.33	kPa	469.09	Calculated Property
Pvap	2.95	kPa	489.10	Calculated Property
Pvap	6.04	kPa	509.11	Calculated Property
Pvap	11.53	kPa	529.12	Calculated Property
Pvap	20.75	kPa	549.13	Calculated Property
Pvap	35.46	kPa	569.13	Calculated Property
Pvap	57.92	kPa	589.14	Calculated Property
Pvap	90.94	kPa	609.15	Calculated Property
Pvap	137.88	kPa	629.16	Calculated Property
Pvap	202.66	kPa	649.17	Calculated Property
Pvap	[2.57e-06; 1218.92]	kPa	[301.76; 771.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			2.30379e+02
Coefficient B			-2.13481e+04
Coefficient C			-3.03848e+01
Coefficient D			1.07740e-05
Temperature range, min.			301.76
Temperature range, max.			771.00
Pvap	2.57e-06	kPa	301.76	Calculated Property
Pvap	9.85e-04	kPa	353.90	Calculated Property
Pvap	0.05	kPa	406.04	Calculated Property
Pvap	0.88	kPa	458.17	Calculated Property
Pvap	6.69	kPa	510.31	Calculated Property
Pvap	30.75	kPa	562.45	Calculated Property
Pvap	100.81	kPa	614.59	Calculated Property
Pvap	263.81	kPa	666.72	Calculated Property
Pvap	594.72	kPa	718.86	Calculated Property
Pvap	1218.92	kPa	771.00	Calculated Property

Similar Compounds

Find more compounds similar to 1-Eicosene.

Sources

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

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