Chemical Properties of Eicosane (CAS 112-95-8)

InChI

InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3

InChI Key

CBFCDTFDPHXCNY-UHFFFAOYSA-N

Formula

C20H42

SMILES

CCCCCCCCCCCCCCCCCCCC

Molecular Weight¹

282.55

CAS

112-95-8

Other Names

• icosane
• n-Eicosane
• n-Icosane

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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).
• NFPA Fire : NFPA Fire Rating.
• P_c : Critical Pressure (kPa).
• P_sub : Sublimation pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• γ : Surface Tension (N/m).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• 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).
• T_fus : Melting point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Contents

1. Physical Properties
2. Temperature Dependent Properties
3. Pressure Dependent Properties
4. Datasets
5. Correlations
6. Similar Compounds
7. Mixtures
8. Sources

Physical Properties

Property	Value	Unit	Source
ω	0.9070		KDB
ΔcH°liquid	-13316.40 ± 2.80	kJ/mol	NIST
ΔfG°	117.40	kJ/mol	KDB
ΔfH°gas	[-456.10; -455.80]	kJ/mol
ΔfH°gas	-456.10	kJ/mol	KDB
ΔfH°gas	-455.80 ± 3.10	kJ/mol	NIST
ΔfH°liquid	-556.50 ± 3.10	kJ/mol	NIST
ΔfusH°	69.03	kJ/mol	Solid liquid equilibria and purity determination for binary n-alkane + naphthalene systems
ΔsubH°	170.40	kJ/mol	NIST
ΔvapH°	[100.80; 103.50]	kJ/mol
ΔvapH°	102.60 ± 1.00	kJ/mol	NIST
ΔvapH°	102.80 ± 2.20	kJ/mol	NIST
ΔvapH°	101.10 ± 2.00	kJ/mol	NIST
ΔvapH°	103.50	kJ/mol	NIST
ΔvapH°	101.80	kJ/mol	NIST
ΔvapH°	100.80	kJ/mol	NIST
IE	9.89	eV	Relay (1.0) Calculated Property
log10WS	[-8.17; -8.17]
log10WS	-8.17		Aq. Solubility Prediction
log10WS	-8.17		Estimated Solubility
logPoct/wat	8.048		Crippen Calculated Property
McVol	292.660	ml/mol	McGowan Calculated Property
NFPA Fire	1		KDB
Pc	[1070.00; 1100.00]	kPa
Pc	1070.00	kPa	KDB
Pc	1100.00 ± 200.00	kPa	NIST
Pc	1070.00 ± 40.00	kPa	NIST
Inp	[327.63; 345.20]
Inp	327.63		NIST
Inp	333.60		NIST
Inp	345.20		NIST
Inp	345.20		NIST
Inp	331.90		NIST
S°solid,1 bar	558.60	J/mol×K	NIST
Tboil	[582.90; 616.20]	K
Tboil	616.00	K	KDB
Tboil	616.20	K	NIST
Tboil	582.90 ± 5.00	K	NIST
Tc	[767.50; 769.00]	K
Tc	768.00	K	KDB
Tc	769.00	K	Critical temperatures and pressures of C40, C44, and C60 normal alkanes measured by the pulse-heating technique
Tc	768.00 ± 8.00	K	NIST
Tc	767.50 ± 3.00	K	NIST
Tfus	[308.10; 310.05]	K
Tfus	309.90	K	KDB
Tfus	309.77	K	Aq. Solubility Prediction
Tfus	309.51	K	Phase diagrams of binary systems containing n-alkanes, or cyclohexane, or 1-alkanols and 2,3-pentanedione at atmospheric and high pressure
Tfus	308.18	K	Solid-liquid equilibria of eicosane, tetracosane or biphenyl + 1- octadecanol, or + 1-eicosanol mixtures
Tfus	308.10	K	Determination of thermophysical properties of cyclopentane hydrate using a stirred calorimetric cell
Tfus	310.05	K	Solid-liquid equilibria of indole binary systems
Ttriple	[309.20; 309.70]	K
Ttriple	309.20	K	Solubilities of Some Long-Chain n-Alkanes in Dipropyl Ether, Dibutyl Ether, 1-Chlorobutane, and 1-Chlorooctane as Functions of Temperature
Ttriple	309.64 ± 0.01	K	NIST
Ttriple	309.70 ± 0.20	K	NIST
Vc	1.207	m3/kmol	Relay (1.0) Calculated Property
Zra	0.23		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[840.49; 953.72]	J/mol×K	[657.00; 817.38]
Cp,gas	840.49	J/mol×K	657.00	Joback Calculated Property
Cp,gas	861.41	J/mol×K	683.73	Joback Calculated Property
Cp,gas	881.48	J/mol×K	710.46	Joback Calculated Property
Cp,gas	900.72	J/mol×K	737.19	Joback Calculated Property
Cp,gas	919.16	J/mol×K	763.92	Joback Calculated Property
Cp,gas	936.82	J/mol×K	790.65	Joback Calculated Property
Cp,gas	953.72	J/mol×K	817.38	Joback Calculated Property
Cp,liquid	664.00	J/mol×K	325.00	NIST
Cp,solid	602.50	J/mol×K	279.10	NIST
η	[0.0000972; 0.0036329]	Pa×s	[315.16; 657.00]
η	0.0036329	Pa×s	315.16	Joback Calculated Property
η	0.0012516	Pa×s	372.13	Joback Calculated Property
η	0.0005722	Pa×s	429.11	Joback Calculated Property
η	0.0003143	Pa×s	486.08	Joback Calculated Property
η	0.0001958	Pa×s	543.05	Joback Calculated Property
η	0.0001334	Pa×s	600.03	Joback Calculated Property
η	0.0000972	Pa×s	657.00	Joback Calculated Property
ΔfusH	[61.48; 70.90]	kJ/mol	[308.50; 310.20]
ΔfusH	70.90	kJ/mol	308.50	NIST
ΔfusH	67.80	kJ/mol	308.80	NIST
ΔfusH	67.80	kJ/mol	308.80	NIST
ΔfusH	69.00	kJ/mol	309.60	NIST
ΔfusH	68.10	kJ/mol	309.70	NIST
ΔfusH	67.80	kJ/mol	309.70	NIST
ΔfusH	61.48	kJ/mol	309.70	NIST
ΔfusH	69.87	kJ/mol	309.75	NIST
ΔfusH	69.80	kJ/mol	310.20	NIST
ΔsubH	[172.80; 179.50]	kJ/mol	[305.00; 367.00]
ΔsubH	172.80 ± 3.00	kJ/mol	305.00	NIST
ΔsubH	179.50 ± 2.00	kJ/mol	367.00	NIST
ΔvapH	[57.49; 110.00]	kJ/mol	[298.00; 617.00]
ΔvapH	103.90	kJ/mol	298.00	A Comparison of Results by Correlation Gas Chromatography with Another Gas Chromatographic Retention Time Technique. The Effects of Retention Time Coincidence on Vaporization Enthalpy and Vapor Pressure
ΔvapH	99.50 ± 1.10	kJ/mol	343.00	NIST
ΔvapH	93.30	kJ/mol	362.00	NIST
ΔvapH	110.00 ± 2.00	kJ/mol	367.50	NIST
ΔvapH	79.00	kJ/mol	407.50	NIST
ΔvapH	89.60	kJ/mol	411.50	NIST
ΔvapH	80.78 ± 0.07	kJ/mol	440.00	NIST
ΔvapH	80.80	kJ/mol	506.50	NIST
ΔvapH	68.30	kJ/mol	506.50	NIST
ΔvapH	78.00	kJ/mol	508.00	NIST
ΔvapH	71.10	kJ/mol	574.00	NIST
ΔvapH	57.49	kJ/mol	617.00	KDB
Psub	[1.73e-06; 5.94e-06]	kPa	[302.37; 307.86]
Psub	1.73e-06	kPa	302.37	Vapor and Sublimation Pressures of Three Normal Alkanes: C20, C24, and C28
Psub	3.30e-06	kPa	304.59	Vapor and Sublimation Pressures of Three Normal Alkanes: C20, C24, and C28
Psub	4.59e-06	kPa	306.79	Vapor and Sublimation Pressures of Three Normal Alkanes: C20, C24, and C28
Psub	5.94e-06	kPa	307.86	Vapor and Sublimation Pressures of Three Normal Alkanes: C20, C24, and C28
Pvap	[1.46e-05; 3.87e-04]	kPa	[313.15; 343.15]
Pvap	1.46e-05	kPa	313.15	The Use of Antioxidants to Improve Vapor Pressure Measurements on Compounds with Oxidative Instability: Methyl Oleate with tert-Butylhydroquinone
Pvap	4.90e-05	kPa	323.15	The Use of Antioxidants to Improve Vapor Pressure Measurements on Compounds with Oxidative Instability: Methyl Oleate with tert-Butylhydroquinone
Pvap	4.88e-05	kPa	323.15	The Use of Antioxidants to Improve Vapor Pressure Measurements on Compounds with Oxidative Instability: Methyl Oleate with tert-Butylhydroquinone
Pvap	4.87e-05	kPa	323.15	The Use of Antioxidants to Improve Vapor Pressure Measurements on Compounds with Oxidative Instability: Methyl Oleate with tert-Butylhydroquinone
Pvap	4.91e-05	kPa	323.15	The Use of Antioxidants to Improve Vapor Pressure Measurements on Compounds with Oxidative Instability: Methyl Oleate with tert-Butylhydroquinone
Pvap	4.64e-05	kPa	323.15	The Use of Antioxidants to Improve Vapor Pressure Measurements on Compounds with Oxidative Instability: Methyl Oleate with tert-Butylhydroquinone
Pvap	1.47e-04	kPa	333.15	The Use of Antioxidants to Improve Vapor Pressure Measurements on Compounds with Oxidative Instability: Methyl Oleate with tert-Butylhydroquinone
Pvap	3.87e-04	kPa	343.15	The Use of Antioxidants to Improve Vapor Pressure Measurements on Compounds with Oxidative Instability: Methyl Oleate with tert-Butylhydroquinone
ρl	775.00	kg/m3	313.00	KDB
ΔfusS	[198.50; 229.80]	J/mol×K	[308.50; 309.75]
ΔfusS	229.80	J/mol×K	308.50	NIST
ΔfusS	219.60	J/mol×K	308.80	NIST
ΔfusS	198.50	J/mol×K	309.70	NIST
ΔfusS	225.60	J/mol×K	309.75	NIST
γ	[0.03; 0.03]	N/m	[313.15; 343.15]
γ	0.03	N/m	313.15	Surface tension of decane binary and ternary mixtures with eicosane, docosane and tetracosane
γ	0.03	N/m	323.15	Surface tension of decane binary and ternary mixtures with eicosane, docosane and tetracosane
γ	0.03	N/m	323.20	KDB
γ	0.03	N/m	333.15	Surface tension of decane binary and ternary mixtures with eicosane, docosane and tetracosane
γ	0.03	N/m	343.15	Surface tension of decane binary and ternary mixtures with eicosane, docosane and tetracosane

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	493.20	K	4.00	NIST
Tfus	[318.15; 344.91]	K	[33520.00; 150000.00]
Tfus	318.15	K	33520.00	High pressure solid solid and solid liquid transition data for long chain alkanes
Tfus	323.15	K	55080.00	High pressure solid solid and solid liquid transition data for long chain alkanes
Tfus	328.15	K	76800.00	High pressure solid solid and solid liquid transition data for long chain alkanes
Tfus	333.15	K	99090.00	High pressure solid solid and solid liquid transition data for long chain alkanes
Tfus	344.91	K	150000.00	High pressure solid solid and solid liquid transition data for long chain alkanes

Datasets

1. Viscosity, Pa*s (1)
2. Mass density, kg/m3 (1)

Viscosity, Pa*s

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Viscosity, Pa*s - Liquid
325.80	6700.00	0.0032
325.80	6700.00	0.0032
325.80	14400.00	0.0035
325.80	14400.00	0.0035
325.80	21300.00	0.0038
325.80	22300.00	0.0039
325.80	28700.00	0.0043
325.80	35500.00	0.0046
429.30	5500.00	0.0008
429.30	7400.00	0.0009
429.30	21800.00	0.0010
429.30	41800.00	0.0013
429.30	63000.00	0.0015
429.30	63000.00	0.0015
429.30	83000.00	0.0018
429.30	103700.00	0.0020
429.30	125000.00	0.0024
429.30	144500.00	0.0026
429.30	144700.00	0.0026
429.30	167900.00	0.0030
429.30	187900.00	0.0033
429.30	208900.00	0.0037
429.30	228600.00	0.0040
429.30	243100.00	0.0043
533.80	6200.00	0.0003
533.80	22900.00	0.0004
533.80	43300.00	0.0005
533.80	43500.00	0.0005
533.80	63200.00	0.0006
533.80	84300.00	0.0008
533.80	104400.00	0.0009
533.80	125000.00	0.0010
533.80	146100.00	0.0011
533.80	165900.00	0.0012
533.80	187300.00	0.0013
533.80	208200.00	0.0014
533.80	228800.00	0.0016
Reference

Mass density, kg/m3

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Mass density, kg/m3 - Liquid
323.65	7300.00	771.0
323.65	14900.00	777.0
323.65	21400.00	784.0
323.65	27400.00	787.0
323.65	34200.00	789.0
422.85	7400.00	711.0
422.85	14300.00	719.0
422.85	20600.00	723.0
422.85	27900.00	730.0
422.85	34600.00	735.0
422.85	54200.00	748.0
422.85	81600.00	765.0
422.85	109200.00	781.0
422.85	136100.00	792.0
422.85	169500.00	806.0
422.85	203100.00	818.0
422.85	235500.00	829.0
422.85	260000.00	837.0
522.55	16400.00	661.0
522.55	28300.00	676.0
522.55	41900.00	691.0
522.55	55500.00	706.0
522.55	69600.00	719.0
522.55	82500.00	727.0
522.55	109200.00	744.0
522.55	138200.00	763.0
522.55	173100.00	777.0
522.55	204700.00	791.0
522.55	239800.00	805.0
522.55	258000.00	810.0
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[466.39; 653.86]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.47405e+01
Coefficient B			-5.08531e+03
Coefficient C			-1.14538e+02
Temperature range, min.			466.39
Temperature range, max.			653.86
Pvap	1.33	kPa	466.39	Calculated Property
Pvap	2.99	kPa	487.22	Calculated Property
Pvap	6.16	kPa	508.05	Calculated Property
Pvap	11.79	kPa	528.88	Calculated Property
Pvap	21.22	kPa	549.71	Calculated Property
Pvap	36.18	kPa	570.54	Calculated Property
Pvap	58.89	kPa	591.37	Calculated Property
Pvap	92.03	kPa	612.20	Calculated Property
Pvap	138.75	kPa	633.03	Calculated Property
Pvap	202.64	kPa	653.86	Calculated Property
Pvap	[1.18e-05; 1031.59]	kPa	[309.59; 767.04]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.25740e+02
Coefficient B			-1.58831e+04
Coefficient C			-1.50009e+01
Coefficient D			2.63411e-06
Temperature range, min.			309.59
Temperature range, max.			767.04
Pvap	1.18e-05	kPa	309.59	Calculated Property
Pvap	1.84e-03	kPa	360.42	Calculated Property
Pvap	0.07	kPa	411.25	Calculated Property
Pvap	0.89	kPa	462.07	Calculated Property
Pvap	6.42	kPa	512.90	Calculated Property
Pvap	29.31	kPa	563.73	Calculated Property
Pvap	96.63	kPa	614.56	Calculated Property
Pvap	250.75	kPa	665.38	Calculated Property
Pvap	544.16	kPa	716.21	Calculated Property
Pvap	1031.59	kPa	767.04	Calculated Property

Similar Compounds

Find more compounds similar to Eicosane.

Mixtures

• Eicosane + 2,3-Pentanedione
• Eicosane + 1-Octadecanol
• Eicosane + 1-Eicosanol
• Eicosane + Naphthalene
• Indole + Eicosane
• Eicosane + Cyclohexane
• Eicosane + Cyclohexane, methyl-
• Cyclohexane, ethyl- + Eicosane
• Eicosane + Di-n-propyl ether
• Eicosane + n-Butyl ether
• Eicosane + Butane, 1-chloro-
• Octane, 1-chloro- + Eicosane
• Eicosane + Decane
• Tetracosane + Eicosane
• Tetracosane + Eicosane + Decane
• Eicosane + Ethylene
• Propane + Eicosane
• Carbon dioxide + Eicosane

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Phase behaviour in the vicinity of the three-phase solid liquid vapour line in asymmetric nonpolar systems at high pressures
• Phase diagrams of binary systems containing n-alkanes, or cyclohexane, or 1-alkanols and 2,3-pentanedione at atmospheric and high pressure
• Experimental measurements and equation of state modeling of liquid densities for long-chain n-alkanes at pressures to 265 MPa and temperatures to 523 K
• Critical temperatures and pressures of C40, C44, and C60 normal alkanes measured by the pulse-heating technique
• Solid-liquid equilibria of eicosane, tetracosane or biphenyl + 1- octadecanol, or + 1-eicosanol mixtures
• High pressure solid solid and solid liquid transition data for long chain alkanes
• Viscosity of n-hexadecane, n-octadecane and n-eicosane at pressures up to 243 MPa and temperatures up to 534 K
• Measurements and modeling of high-temperature, high-pressure density for binary mixtures of propane with n-decane and propane with n-eicosane
• Determination of thermophysical properties of cyclopentane hydrate using a stirred calorimetric cell
• Solid liquid equilibria and purity determination for binary n-alkane + naphthalene systems
• Solid-liquid equilibria of indole binary systems
• A Comparison of Results by Correlation Gas Chromatography with Another Gas Chromatographic Retention Time Technique. The Effects of Retention Time Coincidence on Vaporization Enthalpy and Vapor Pressure
• The Use of Antioxidants to Improve Vapor Pressure Measurements on Compounds with Oxidative Instability: Methyl Oleate with tert-Butylhydroquinone
• Interfacial Tension Measurement and Calculation of (Carbon Dioxide + n-Alkane) Binary Mixtures
• Bubble Pressure Measurement and Prediction for n-Hexadecane and n-Eicosane + Cyclohexane, Methylcyclohexane, and Ethylcyclohexane Binary Mixtures from 303.15 to 393.15 K
• Influence of a-Olefin Concentration and Length on the High-Pressure Phase Behavior of (a-Olefin + n-Hexane + LLDPE) Systems
• Solubilities of Some Long-Chain n-Alkanes in Dipropyl Ether, Dibutyl Ether, 1-Chlorobutane, and 1-Chlorooctane as Functions of Temperature
• Surface tension of decane binary and ternary mixtures with eicosane, docosane and tetracosane
• Article Previous Article Next Article Articles ASAP Use of Equations of State and Coarse Grained Simulations to Complement Experiments: Describing the Interfacial Properties of Carbon Dioxide + Decane and Carbon Dioxide + Eicosane Mixtures
• Vapor and Sublimation Pressures of Three Normal Alkanes: C20, C24, and C28
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.