Chemical Properties of DOCOSANE (CAS 629-97-0)

InChI

InChI=1S/C22H46/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3

InChI Key

HOWGUJZVBDQJKV-UHFFFAOYSA-N

Formula

C22H46

SMILES

CCCCCCCCCCCCCCCCCCCCCC

Molecular Weight¹

310.61

CAS

629-97-0

Other Names

• Normal-docosane
• n-docosane

• ω : Acentric Factor.
• 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_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 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).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.9367		Relay (1.0) Calculated Property
ΔfG°	134.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-505.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	52.74	kJ/mol	Joback Calculated Property
ΔvapH°	[111.90; 115.60]	kJ/mol
ΔvapH°	111.90	kJ/mol	NIST
ΔvapH°	114.90 ± 0.30	kJ/mol	NIST
ΔvapH°	115.60 ± 1.90	kJ/mol	NIST
ΔvapH°	115.60	kJ/mol	NIST
IE	9.96	eV	Relay (1.0) Calculated Property
log10WS	-9.22		Relay (1.0) Calculated Property
logPoct/wat	8.828		Crippen Calculated Property
McVol	320.840	ml/mol	McGowan Calculated Property
Pc	[980.00; 1000.00]	kPa
Pc	980.00	kPa	KDB
Pc	1000.00 ± 200.00	kPa	NIST
Pc	982.00 ± 40.00	kPa	NIST
Inp	[356.14; 374.90]
Inp	356.14		NIST
Inp	362.61		NIST
Inp	374.90		NIST
Inp	374.90		NIST
Inp	374.90		NIST
Tboil	641.80	K	NIST
Tc	[763.15; 787.00]	K
Tc	787.00	K	Critical temperatures and pressures of C40, C44, and C60 normal alkanes measured by the pulse-heating technique
Tc	786.00	K	KDB
Tc	786.00 ± 8.00	K	NIST
Tc	785.60 ± 3.00	K	NIST
Tc	763.15 ± 10.00	K	NIST
Tfus	[313.20; 318.30]	K
Tfus	317.05 ± 0.30	K	NIST
Tfus	316.74 ± 0.07	K	NIST
Tfus	316.85 ± 0.15	K	NIST
Tfus	316.00 ± 0.10	K	NIST
Tfus	316.05 ± 1.00	K	NIST
Tfus	317.30 ± 0.20	K	NIST
Tfus	316.93 ± 0.25	K	NIST
Tfus	318.30 ± 3.00	K	NIST
Tfus	317.07 ± 0.40	K	NIST
Tfus	Outlier 314.00 ± 4.00	K	NIST
Tfus	317.20 ± 0.30	K	NIST
Tfus	317.06 ± 0.20	K	NIST
Tfus	317.60 ± 0.60	K	NIST
Tfus	317.30 ± 0.60	K	NIST
Tfus	317.00 ± 2.00	K	NIST
Tfus	317.00 ± 0.30	K	NIST
Tfus	317.00 ± 2.00	K	NIST
Tfus	317.70 ± 0.70	K	NIST
Tfus	317.70 ± 2.00	K	NIST
Tfus	Outlier 313.20 ± 3.00	K	NIST
Tfus	317.70 ± 0.80	K	NIST
Tfus	315.80 ± 4.00	K	NIST
Tfus	317.40 ± 0.70	K	NIST
Tfus	317.60 ± 1.00	K	NIST
Tfus	317.00 ± 2.00	K	NIST
Tfus	317.60 ± 0.80	K	NIST
Tfus	317.60 ± 3.00	K	NIST
Tfus	317.55 ± 1.00	K	NIST
Ttriple	[315.20; 317.22]	K
Ttriple	315.60	K	Thermal conductivity of heavy, even-carbon number n-alkanes (C22 to C32)
Ttriple	317.22	K	Magnetic effect on the phase transitions of n-docosane by means of a high resolution and super-sensitive DSC
Ttriple	315.20 ± 1.00	K	NIST
Vc	1.320	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[962.02; 1079.56]	J/mol×K	[702.76; 866.55]
Cp,gas	962.02	J/mol×K	702.76	Joback Calculated Property
Cp,gas	983.83	J/mol×K	730.06	Joback Calculated Property
Cp,gas	1004.72	J/mol×K	757.36	Joback Calculated Property
Cp,gas	1024.70	J/mol×K	784.66	Joback Calculated Property
Cp,gas	1043.81	J/mol×K	811.95	Joback Calculated Property
Cp,gas	1062.09	J/mol×K	839.25	Joback Calculated Property
Cp,gas	1079.56	J/mol×K	866.55	Joback Calculated Property
Cp,liquid	739.00	J/mol×K	353.00	NIST
Cp,solid	[468.00; 563.60]	J/mol×K	[299.00; 300.00]
Cp,solid	563.60	J/mol×K	299.00	NIST
Cp,solid	468.00	J/mol×K	300.00	NIST
η	[0.0000755; 0.0029440]	Pa×s	[337.70; 702.76]
η	0.0029440	Pa×s	337.70	Joback Calculated Property
η	0.0010030	Pa×s	398.54	Joback Calculated Property
η	0.0004545	Pa×s	459.39	Joback Calculated Property
η	0.0002478	Pa×s	520.23	Joback Calculated Property
η	0.0001534	Pa×s	581.07	Joback Calculated Property
η	0.0001040	Pa×s	641.92	Joback Calculated Property
η	0.0000755	Pa×s	702.76	Joback Calculated Property
ΔfusH	[29.51; 78.50]	kJ/mol	[315.20; 316.90]
ΔfusH	29.51	kJ/mol	315.20	NIST
ΔfusH	47.84	kJ/mol	316.10	NIST
ΔfusH	47.84	kJ/mol	316.10	NIST
ΔfusH	49.10	kJ/mol	316.60	NIST
ΔfusH	78.50	kJ/mol	316.90	NIST
ΔsubH	172.60 ± 2.00	kJ/mol	391.00	NIST
ΔvapH	[84.30; 124.00]	kJ/mol	[298.00; 536.50]
ΔvapH	110.00	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	111.90	kJ/mol	298.15	Vapor Pressures and Vaporization Enthalpies of the n-Alkanes from C21 to C30 at T = 298.15 K by Correlation Gas Chromatography
ΔvapH	124.00 ± 2.00	kJ/mol	391.00	NIST
ΔvapH	100.90	kJ/mol	407.50	NIST
ΔvapH	89.90	kJ/mol	424.00	NIST
ΔvapH	84.30	kJ/mol	513.00	NIST
ΔvapH	91.30	kJ/mol	536.50	NIST
ΔfusS	[93.62; 151.36]	J/mol×K	[315.20; 316.10]
ΔfusS	93.62	J/mol×K	315.20	NIST
ΔfusS	151.36	J/mol×K	316.10	NIST
γ	[0.03; 0.03]	N/m	[323.15; 343.15]
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	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

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.11; 101.70]	kPa	[431.15; 649.15]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.28366e+02
Coefficient B			-1.54319e+04
Coefficient C			-1.57784e+01
Coefficient D			5.23129e-06
Temperature range, min.			431.15
Temperature range, max.			649.15
Pvap	0.11	kPa	431.15	Calculated Property
Pvap	0.36	kPa	455.37	Calculated Property
Pvap	0.99	kPa	479.59	Calculated Property
Pvap	2.43	kPa	503.82	Calculated Property
Pvap	5.38	kPa	528.04	Calculated Property
Pvap	10.95	kPa	552.26	Calculated Property
Pvap	20.75	kPa	576.48	Calculated Property
Pvap	37.03	kPa	600.71	Calculated Property
Pvap	62.75	kPa	624.93	Calculated Property
Pvap	101.70	kPa	649.15	Calculated Property

Similar Compounds

Find more compounds similar to DOCOSANE.

Mixtures

• DOCOSANE + Decane
• DOCOSANE + Decane + Cyclohexane

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Critical temperatures and pressures of C40, C44, and C60 normal alkanes measured by the pulse-heating technique
• Thermal conductivity of heavy, even-carbon number n-alkanes (C22 to C32)
• Magnetic effect on the phase transitions of n-docosane by means of a high resolution and super-sensitive DSC
• Examination of hydrogen-bonding interactions between dissolved solutes and alkylbenzene solvents based on Abraham model correlations derived from measured enthalpies of solvation
• Excess Molar Volumes for Three and Four Component Mixtures Simulating the Binary Mixture (Cyclohexane+ Hexadecane)
• 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
• Vapor Pressures and Vaporization Enthalpies of the n-Alkanes from C21 to C30 at T = 298.15 K by Correlation Gas Chromatography
• Surface tension of decane binary and ternary mixtures with eicosane, docosane and tetracosane
• Joback Method
• KDB
• McGowan Method
• NIST Webbook

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