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
• Eicos-1-ene
• Eicosene
• Icos-1-ene
• NSC 77138
• Neodene 20
• «alpha»-Eicosene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• 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).
• 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_triple : Triple Point Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• λ_gas : Gas thermal conductivity (W/m×K).
• λ_liquid : Liquid thermal conductivity (W/m×K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• U_Qi : UNIQUAC Qi Parameter.
• U_Ri : UNIQUAC Ri Parameter.
• 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; 0.8804]
ω	0.8804		ChemSep v8.3 pure component data Compiled value
ω	0.7700		KDB
μ	0.36	debye	ChemSep v8.3 pure component data Compiled value
ΔfG°	202.73	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-331.30	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfusH°	46.28	kJ/mol	Joback Calculated Property
ΔvapH°	100.00	kJ/mol	NIST
IE	9.64	eV	Relay (1.0) Calculated Property
log10WS	-8.32		Relay (1.0) Calculated Property
logPoct/wat	7.824		Crippen Calculated Property
McVol	288.360	ml/mol	McGowan Calculated Property
Pc	[1040.00; 1040.00]	kPa
Pc	1040.00	kPa	ChemSep v8.3 pure component data Compiled value
Pc	1040.00	kPa	KDB
Ptriple	3.13e-06	kPa	ChemSep v8.3 pure component data Compiled value
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	1993.00		NIST
Inp	1996.00		NIST
Inp	1988.00		NIST
Inp	1995.00		NIST
Inp	1997.00		NIST
Inp	1989.00		NIST
Ip	[2047.00; 2058.00]
Ip	2058.00		NIST
Ip	2056.00		NIST
Ip	2047.00		NIST
Ip	2047.00		NIST
Tboil	[614.20; 615.54]	K
Tboil	615.54	K	ChemSep v8.3 pure component data Compiled value
Tboil	614.90	K	KDB
Tboil	614.20	K	NIST
Tc	[765.40; 765.40]	K
Tc	765.40	K	ChemSep v8.3 pure component data Compiled value
Tc	765.40	K	KDB
Tfus	[301.75; 302.00]	K
Tfus	301.90	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	301.75	K	ChemSep v8.3 pure component data Compiled value
Tfus	302.00	K	KDB
Ttriple	301.76	K	ChemSep v8.3 pure component data Compiled value
UQi	11.20		ChemSep v8.3 pure component data Compiled value
URi	13.71		ChemSep v8.3 pure component data Compiled value
Vc	[1.160; 1.165]	m3/kmol
Vc	1.160	m3/kmol	ChemSep v8.3 pure component data Compiled value
Vc	1.165	m3/kmol	KDB
Zc	[0.1903040; 0.2470000]
Zc	0.2470000		ChemSep v8.3 pure component data Compiled value
Zc	0.1903040		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
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

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	424.20	K	0.10	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[257.14; 1160.24]	J/mol×K	[100.00; 1500.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.51642e+02
Coefficient B			-5.48959e+02
Coefficient C			7.19399e+00
Coefficient D			-4.75605e-06
Coefficient E			-3.99218e-09
Temperature range, min.			100.00
Temperature range, max.			1500.00
Cp,gas	257.14	J/mol×K	100.00	Calculated Property
Cp,gas	406.80	J/mol×K	255.56	Calculated Property
Cp,gas	600.99	J/mol×K	411.11	Calculated Property
Cp,gas	754.98	J/mol×K	566.67	Calculated Property
Cp,gas	870.81	J/mol×K	722.22	Calculated Property
Cp,gas	958.87	J/mol×K	877.78	Calculated Property
Cp,gas	1027.19	J/mol×K	1033.33	Calculated Property
Cp,gas	1081.25	J/mol×K	1188.89	Calculated Property
Cp,gas	1124.76	J/mol×K	1344.44	Calculated Property
Cp,gas	1160.24	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[611.04; 907.76]	J/mol×K	[301.76; 615.54]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,liquid in J/mol×K, T in K
Coefficient A			3.25690e+02
Coefficient B			9.45620e-01
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			301.76
Temperature range, max.			615.54
Cp,liquid	611.04	J/mol×K	301.76	Calculated Property
Cp,liquid	644.01	J/mol×K	336.62	Calculated Property
Cp,liquid	676.98	J/mol×K	371.49	Calculated Property
Cp,liquid	709.95	J/mol×K	406.35	Calculated Property
Cp,liquid	742.91	J/mol×K	441.22	Calculated Property
Cp,liquid	775.88	J/mol×K	476.08	Calculated Property
Cp,liquid	808.85	J/mol×K	510.95	Calculated Property
Cp,liquid	841.82	J/mol×K	545.81	Calculated Property
Cp,liquid	874.79	J/mol×K	580.68	Calculated Property
Cp,liquid	907.76	J/mol×K	615.54	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0047998; 0.0001595]	Pa×s	[301.76; 615.54]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.20170e+01
Coefficient B			2.01510e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			301.76
Temperature range, max.			615.54
η	0.0047998	Pa×s	301.76	Calculated Property
η	0.0024036	Pa×s	336.62	Calculated Property
η	0.0013705	Pa×s	371.49	Calculated Property
η	0.0008605	Pa×s	406.35	Calculated Property
η	0.0005815	Pa×s	441.22	Calculated Property
η	0.0004162	Pa×s	476.08	Calculated Property
η	0.0003118	Pa×s	510.95	Calculated Property
η	0.0002424	Pa×s	545.81	Calculated Property
η	0.0001942	Pa×s	580.68	Calculated Property
η	0.0001595	Pa×s	615.54	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[93.10; 0.00]	kJ/mol	[301.76; 765.40]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is ΔvapH in kJ/mol, T in K
Coefficient A			1.16470e+02
Coefficient B			4.46870e-01
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			1.00000e-07
Critical temperature, Tc (K)			7.65400e+02
Comment			Range stopped at Tc; ChemSep gives it to 771 K.
Temperature range, min.			301.76
Temperature range, max.			765.40
ΔvapH	93.10	kJ/mol	301.76	Calculated Property
ΔvapH	88.32	kJ/mol	353.28	Calculated Property
ΔvapH	83.21	kJ/mol	404.79	Calculated Property
ΔvapH	77.67	kJ/mol	456.31	Calculated Property
ΔvapH	71.59	kJ/mol	507.82	Calculated Property
ΔvapH	64.80	kJ/mol	559.34	Calculated Property
ΔvapH	56.98	kJ/mol	610.85	Calculated Property
ΔvapH	47.54	kJ/mol	662.37	Calculated Property
ΔvapH	34.87	kJ/mol	713.88	Calculated Property
ΔvapH	0.00	kJ/mol	765.40	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[469.09; 649.17]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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	[3.13e-06; 1210.88]	kPa	[301.76; 771.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K
Coefficient A			2.10192e+02
Coefficient B			-2.01970e+04
Coefficient C			-2.74630e+01
Coefficient D			9.53530e-06
Coefficient E			2.00000e+00
Temperature range, min.			301.76
Temperature range, max.			771.00
Pvap	3.13e-06	kPa	301.76	Calculated Property
Pvap	1.04e-03	kPa	353.90	Calculated Property
Pvap	0.05	kPa	406.04	Calculated Property
Pvap	0.85	kPa	458.17	Calculated Property
Pvap	6.46	kPa	510.31	Calculated Property
Pvap	29.84	kPa	562.45	Calculated Property
Pvap	98.75	kPa	614.59	Calculated Property
Pvap	260.67	kPa	666.72	Calculated Property
Pvap	590.76	kPa	718.86	Calculated Property
Pvap	1210.88	kPa	771.00	Calculated Property
Pvap	[2.57e-06; 1218.92]	kPa	[301.76; 771.00]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			2.30379e+02
Coefficient B			-2.13481e+04
Coefficient C			-3.03848e+01
Coefficient D			1.07740e-05
Coefficient E			0.00000e+00
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

Property	Value	Unit	Temperature (K)	Source
ρl	[787.79; 213.97]	kg/m3	[301.76; 771.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K
Coefficient A			4.76455e+01
Coefficient B			2.22670e-01
Coefficient C			7.71000e+02
Coefficient D			2.85710e-01
Temperature range, min.			301.76
Temperature range, max.			771.00
ρl	787.79	kg/m3	301.76	Calculated Property
ρl	754.54	kg/m3	353.90	Calculated Property
ρl	719.77	kg/m3	406.04	Calculated Property
ρl	683.12	kg/m3	458.17	Calculated Property
ρl	644.03	kg/m3	510.31	Calculated Property
ρl	601.66	kg/m3	562.45	Calculated Property
ρl	554.52	kg/m3	614.59	Calculated Property
ρl	499.67	kg/m3	666.72	Calculated Property
ρl	429.05	kg/m3	718.86	Calculated Property
ρl	213.97	kg/m3	771.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.03; 0.00]	N/m	[301.76; 765.40]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is γ in N/m, T in K
Coefficient A			5.79480e-02
Coefficient B			1.43550e+00
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			1.00000e-07
Critical temperature, Tc (K)			7.65400e+02
Comment			Range stopped at Tc; ChemSep gives it to 771 K.
Temperature range, min.			301.76
Temperature range, max.			765.40
γ	0.03	N/m	301.76	Calculated Property
γ	0.02	N/m	353.28	Calculated Property
γ	0.02	N/m	404.79	Calculated Property
γ	0.02	N/m	456.31	Calculated Property
γ	0.01	N/m	507.82	Calculated Property
γ	0.01	N/m	559.34	Calculated Property
γ	0.01	N/m	610.85	Calculated Property
γ	0.00	N/m	662.37	Calculated Property
γ	0.00	N/m	713.88	Calculated Property
γ	0.00	N/m	765.40	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.02; 0.06]	W/m×K	[615.54; 1000.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·T^B / (1 + C/T + D/T²) Y is λgas in W/m×K, T in K
Coefficient A			1.12090e-07
Coefficient B			1.91350e+00
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Temperature range, min.			615.54
Temperature range, max.			1000.00
λgas	0.02	W/m×K	615.54	Calculated Property
λgas	0.03	W/m×K	658.26	Calculated Property
λgas	0.03	W/m×K	700.98	Calculated Property
λgas	0.03	W/m×K	743.69	Calculated Property
λgas	0.04	W/m×K	786.41	Calculated Property
λgas	0.04	W/m×K	829.13	Calculated Property
λgas	0.05	W/m×K	871.85	Calculated Property
λgas	0.05	W/m×K	914.56	Calculated Property
λgas	0.06	W/m×K	957.28	Calculated Property
λgas	0.06	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λliquid	[0.14; 0.08]	W/m×K	[301.76; 615.54]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is λliquid in W/m×K, T in K
Coefficient A			2.03500e-01
Coefficient B			-1.95140e-04
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			301.76
Temperature range, max.			615.54
λliquid	0.14	W/m×K	301.76	Calculated Property
λliquid	0.14	W/m×K	336.62	Calculated Property
λliquid	0.13	W/m×K	371.49	Calculated Property
λliquid	0.12	W/m×K	406.35	Calculated Property
λliquid	0.12	W/m×K	441.22	Calculated Property
λliquid	0.11	W/m×K	476.08	Calculated Property
λliquid	0.10	W/m×K	510.95	Calculated Property
λliquid	0.10	W/m×K	545.81	Calculated Property
λliquid	0.09	W/m×K	580.68	Calculated Property
λliquid	0.08	W/m×K	615.54	Calculated Property

Similar Compounds

Find more compounds similar to 1-Eicosene.

Sources

• KDB Vapor Pressure Data
• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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