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.

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Physical Properties

Property	Value	Unit	Source
ω	0.9367		Relay (1.0) Calculated Property
Δ_fG°	134.36	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-505.98	kJ/mol	Relay (1.0) Calculated Property
Δ_fusH°	52.74	kJ/mol	Joback Calculated Property
Δ_vapH°	[111.90; 115.60]	kJ/mol
Δ_vapH°	111.90	kJ/mol	NIST
Δ_vapH°	114.90 ± 0.30	kJ/mol	NIST
Δ_vapH°	115.60 ± 1.90	kJ/mol	NIST
Δ_vapH°	115.60	kJ/mol	NIST
IE	9.96	eV	Relay (1.0) Calculated Property
log₁₀WS	-9.22		Relay (1.0) Calculated Property
logP_oct/wat	8.828		Crippen Calculated Property
McVol	320.840	ml/mol	McGowan Calculated Property
P_c	[980.00; 1000.00]	kPa
P_c	980.00	kPa	KDB
P_c	1000.00 ± 200.00	kPa	NIST
P_c	982.00 ± 40.00	kPa	NIST
I_np	[356.14; 374.90]
I_np	356.14		NIST
I_np	362.61		NIST
I_np	374.90		NIST
I_np	374.90		NIST
I_np	374.90		NIST
T_boil	641.80	K	NIST
T_c	[763.15; 787.00]	K
T_c	787.00	K	Critical temperatures and pressures of C40, C44, and C60 normal alkanes measured by the pulse-heating technique
T_c	786.00	K	KDB
T_c	786.00 ± 8.00	K	NIST
T_c	785.60 ± 3.00	K	NIST
T_c	763.15 ± 10.00	K	NIST
T_fus	[313.20; 318.30]	K
T_fus	317.05 ± 0.30	K	NIST
T_fus	316.74 ± 0.07	K	NIST
T_fus	316.85 ± 0.15	K	NIST
T_fus	316.00 ± 0.10	K	NIST
T_fus	316.05 ± 1.00	K	NIST
T_fus	317.30 ± 0.20	K	NIST
T_fus	316.93 ± 0.25	K	NIST
T_fus	318.30 ± 3.00	K	NIST
T_fus	317.07 ± 0.40	K	NIST
T_fus	Outlier 314.00 ± 4.00	K	NIST
T_fus	317.20 ± 0.30	K	NIST
T_fus	317.06 ± 0.20	K	NIST
T_fus	317.60 ± 0.60	K	NIST
T_fus	317.30 ± 0.60	K	NIST
T_fus	317.00 ± 2.00	K	NIST
T_fus	317.00 ± 0.30	K	NIST
T_fus	317.00 ± 2.00	K	NIST
T_fus	317.70 ± 0.70	K	NIST
T_fus	317.70 ± 2.00	K	NIST
T_fus	Outlier 313.20 ± 3.00	K	NIST
T_fus	317.70 ± 0.80	K	NIST
T_fus	315.80 ± 4.00	K	NIST
T_fus	317.40 ± 0.70	K	NIST
T_fus	317.60 ± 1.00	K	NIST
T_fus	317.00 ± 2.00	K	NIST
T_fus	317.60 ± 0.80	K	NIST
T_fus	317.60 ± 3.00	K	NIST
T_fus	317.55 ± 1.00	K	NIST
T_triple	[315.20; 317.22]	K
T_triple	315.60	K	Thermal conductivity of heavy, even-carbon number n-alkanes (C22 to C32)
T_triple	317.22	K	Magnetic effect on the phase transitions of n-docosane by means of a high resolution and super-sensitive DSC
T_triple	315.20 ± 1.00	K	NIST
V_c	1.321	m³/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[962.19; 1079.71]	J/mol×K	[702.96; 866.80]

C_p,gas	962.19	J/mol×K	702.96	Joback Calculated Property
C_p,gas	984.00	J/mol×K	730.27	Joback Calculated Property
C_p,gas	1004.88	J/mol×K	757.57	Joback Calculated Property
C_p,gas	1024.86	J/mol×K	784.88	Joback Calculated Property
C_p,gas	1043.97	J/mol×K	812.19	Joback Calculated Property
C_p,gas	1062.25	J/mol×K	839.49	Joback Calculated Property
C_p,gas	1079.71	J/mol×K	866.80	Joback Calculated Property
C_p,liquid	[704.00; 841.00]	J/mol×K	[320.00; 450.00]

C_p,liquid	704.00	J/mol×K	320.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	714.00	J/mol×K	330.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	725.00	J/mol×K	340.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	736.00	J/mol×K	350.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	739.00	J/mol×K	353.00	NIST
C_p,liquid	746.00	J/mol×K	360.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	757.00	J/mol×K	370.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	767.00	J/mol×K	380.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	778.00	J/mol×K	390.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	788.00	J/mol×K	400.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	799.00	J/mol×K	410.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	810.00	J/mol×K	420.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	820.00	J/mol×K	430.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	831.00	J/mol×K	440.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	841.00	J/mol×K	450.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,solid	[468.00; 563.60]	J/mol×K	[299.00; 300.00]
C_p,solid	563.60	J/mol×K	299.00	NIST
C_p,solid	468.00	J/mol×K	300.00	NIST
η	[0.0000754; 0.0029440]	Pa×s	[337.70; 702.96]

η	0.0029440	Pa×s	337.70	Joback Calculated Property
η	0.0010025	Pa×s	398.58	Joback Calculated Property
η	0.0004541	Pa×s	459.45	Joback Calculated Property
η	0.0002476	Pa×s	520.33	Joback Calculated Property
η	0.0001533	Pa×s	581.21	Joback Calculated Property
η	0.0001039	Pa×s	642.08	Joback Calculated Property
η	0.0000754	Pa×s	702.96	Joback Calculated Property
Δ_fusH	[29.51; 78.50]	kJ/mol	[315.20; 316.90]

Δ_fusH	29.51	kJ/mol	315.20	NIST
Δ_fusH	47.84	kJ/mol	316.10	NIST
Δ_fusH	47.84	kJ/mol	316.10	NIST
Δ_fusH	49.10	kJ/mol	316.60	NIST
Δ_fusH	78.50	kJ/mol	316.90	NIST
Δ_subH	172.60 ± 2.00	kJ/mol	391.00	NIST
Δ_vapH	[84.30; 124.00]	kJ/mol	[298.00; 536.50]

Δ_vapH	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
Δ_vapH	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
Δ_vapH	124.00 ± 2.00	kJ/mol	391.00	NIST
Δ_vapH	100.90	kJ/mol	407.50	NIST
Δ_vapH	89.90	kJ/mol	424.00	NIST
Δ_vapH	84.30	kJ/mol	513.00	NIST
Δ_vapH	91.30	kJ/mol	536.50	NIST
Δ_fusS	[93.62; 151.36]	J/mol×K	[315.20; 316.10]
Δ_fusS	93.62	J/mol×K	315.20	NIST
Δ_fusS	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
P_vap	[0.11; 101.70]	kPa	[431.15; 649.15]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + Cln(T) + DT^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

P_vap	0.11	kPa	431.15	Calculated Property
P_vap	0.36	kPa	455.37	Calculated Property
P_vap	0.99	kPa	479.59	Calculated Property
P_vap	2.43	kPa	503.82	Calculated Property
P_vap	5.38	kPa	528.04	Calculated Property
P_vap	10.95	kPa	552.26	Calculated Property
P_vap	20.75	kPa	576.48	Calculated Property
P_vap	37.03	kPa	600.71	Calculated Property
P_vap	62.75	kPa	624.93	Calculated Property
P_vap	101.70	kPa	649.15	Calculated Property

Similar Compounds

Find more compounds similar to DOCOSANE.

Mixtures

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