Chemical Properties of Hexacosane (CAS 630-01-3)

InChI

InChI=1S/C26H54/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3

InChI Key

HMSWAIKSFDFLKN-UHFFFAOYSA-N

Formula

C26H54

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCC

Molecular Weight¹

366.72

CAS

630-01-3

Other Names

• cerane
• n-hexacosane

• 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 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_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• 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	1.0775		Relay (1.0) Calculated Property
ΔfG°	168.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-588.95	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	63.10	kJ/mol	Joback Calculated Property
ΔsubH°	177.00 ± 10.00	kJ/mol	NIST
ΔvapH°	[131.70; 140.00]	kJ/mol
ΔvapH°	131.70	kJ/mol	NIST
ΔvapH°	139.30 ± 0.50	kJ/mol	NIST
ΔvapH°	136.40 ± 0.20	kJ/mol	NIST
ΔvapH°	140.00 ± 2.20	kJ/mol	NIST
IE	10.09	eV	Relay (1.0) Calculated Property
log10WS	[-8.33; -8.33]
log10WS	-8.33		Aq. Solubility Prediction
log10WS	-8.33		Estimated Solubility
logPoct/wat	10.389		Crippen Calculated Property
McVol	377.200	ml/mol	McGowan Calculated Property
Pc	724.96	kPa	Joback Calculated Property
Inp	[415.90; 415.93]
Inp	415.93		NIST
Inp	415.90		NIST
Inp	415.90		NIST
S°solid,1 bar	667.00	J/mol×K	NIST
Tboil	534.00 ± 5.00	K	NIST
Tc	819.00	K	Critical temperatures and pressures of C40, C44, and C60 normal alkanes measured by the pulse-heating technique
Tfus	[327.00; 346.00]	K
Tfus	329.85	K	Aq. Solubility Prediction
Tfus	329.65 ± 0.40	K	NIST
Tfus	329.60 ± 0.20	K	NIST
Tfus	329.35 ± 0.50	K	NIST
Tfus	329.20 ± 0.50	K	NIST
Tfus	329.50 ± 0.30	K	NIST
Tfus	329.35 ± 0.20	K	NIST
Tfus	329.60 ± 0.80	K	NIST
Tfus	327.00 ± 3.00	K	NIST
Tfus	329.40 ± 0.50	K	NIST
Tfus	329.35 ± 1.50	K	NIST
Tfus	329.00 ± 0.60	K	NIST
Tfus	329.60 ± 0.70	K	NIST
Tfus	329.60 ± 1.00	K	NIST
Tfus	331.00 ± 2.00	K	NIST
Tfus	329.30 ± 0.30	K	NIST
Tfus	329.70 ± 1.00	K	NIST
Tfus	329.00 ± 2.00	K	NIST
Tfus	328.10 ± 3.00	K	NIST
Tfus	329.90 ± 1.50	K	NIST
Tfus	330.70 ± 1.00	K	NIST
Tfus	328.90 ± 2.00	K	NIST
Tfus	330.00 ± 2.00	K	NIST
Tfus	329.00 ± 5.00	K	NIST
Tfus	329.70 ± 1.00	K	NIST
Tfus	329.70 ± 2.00	K	NIST
Tfus	333.00 ± 3.00	K	NIST
Tfus	330.10 ± 1.00	K	NIST
Tfus	329.80 ± 1.00	K	NIST
Tfus	329.00 ± 3.00	K	NIST
Tfus	331.00 ± 3.00	K	NIST
Tfus	Outlier 346.00 ± 15.00	K	NIST
Tfus	328.90 ± 3.00	K	NIST
Tfus	330.00 ± 2.00	K	NIST
Ttriple	[325.70; 329.26]	K
Ttriple	325.70	K	Thermal conductivity of heavy, even-carbon number n-alkanes (C22 to C32)
Ttriple	329.18 ± 1.00	K	NIST
Ttriple	329.26 ± 0.02	K	NIST
Vc	1.544	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1216.47; 1344.27]	J/mol×K	[794.48; 972.67]
Cp,gas	1216.47	J/mol×K	794.48	Joback Calculated Property
Cp,gas	1240.49	J/mol×K	824.18	Joback Calculated Property
Cp,gas	1263.36	J/mol×K	853.88	Joback Calculated Property
Cp,gas	1285.13	J/mol×K	883.57	Joback Calculated Property
Cp,gas	1305.84	J/mol×K	913.27	Joback Calculated Property
Cp,gas	1325.53	J/mol×K	942.97	Joback Calculated Property
Cp,gas	1344.27	J/mol×K	972.67	Joback Calculated Property
Cp,liquid	[848.50; 999.90]	J/mol×K	[330.00; 450.00]
Cp,liquid	848.50	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
Cp,liquid	858.70	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
Cp,liquid	869.40	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
Cp,liquid	870.00	J/mol×K	353.00	NIST
Cp,liquid	880.40	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
Cp,liquid	891.90	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
Cp,liquid	903.90	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
Cp,liquid	916.30	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
Cp,liquid	929.10	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
Cp,liquid	942.40	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
Cp,liquid	956.10	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
Cp,liquid	970.30	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
Cp,liquid	984.80	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
Cp,liquid	999.90	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
Cp,solid	[661.20; 677.80]	J/mol×K	[298.15; 304.00]
Cp,solid	661.20	J/mol×K	298.15	NIST
Cp,solid	677.80	J/mol×K	304.00	NIST
η	[0.0000437; 0.0018278]	Pa×s	[382.78; 794.48]
η	0.0018278	Pa×s	382.78	Joback Calculated Property
η	0.0006112	Pa×s	451.40	Joback Calculated Property
η	0.0002729	Pa×s	520.01	Joback Calculated Property
η	0.0001470	Pa×s	588.63	Joback Calculated Property
η	0.0000901	Pa×s	657.25	Joback Calculated Property
η	0.0000606	Pa×s	725.86	Joback Calculated Property
η	0.0000437	Pa×s	794.48	Joback Calculated Property
ΔfusH	[32.20; 61.10]	kJ/mol	[326.50; 330.90]
ΔfusH	32.20	kJ/mol	326.50	NIST
ΔfusH	57.60	kJ/mol	328.20	NIST
ΔfusH	60.10	kJ/mol	329.10	NIST
ΔfusH	59.50	kJ/mol	329.50	NIST
ΔfusH	59.50	kJ/mol	329.50	NIST
ΔfusH	61.10	kJ/mol	330.90	NIST
ΔvapH	[94.50; 132.00]	kJ/mol	[298.00; 575.50]
ΔvapH	122.00	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	131.70	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	132.00 ± 1.00	kJ/mol	414.00	NIST
ΔvapH	97.60	kJ/mol	475.00	NIST
ΔvapH	99.00 ± 3.80	kJ/mol	487.00	NIST
ΔvapH	94.50	kJ/mol	504.00	NIST
ΔvapH	101.60	kJ/mol	575.50	NIST
ΔfusS	[98.70; 180.60]	J/mol×K	[326.50; 329.50]
ΔfusS	98.70	J/mol×K	326.50	NIST
ΔfusS	180.60	J/mol×K	329.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.07; 101.23]	kPa	[466.15; 685.15]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			3.34993e+02
Coefficient B			-3.05084e+04
Coefficient C			-4.48117e+01
Coefficient D			1.43929e-05
Temperature range, min.			466.15
Temperature range, max.			685.15
Pvap	0.07	kPa	466.15	Calculated Property
Pvap	0.25	kPa	490.48	Calculated Property
Pvap	0.78	kPa	514.82	Calculated Property
Pvap	2.07	kPa	539.15	Calculated Property
Pvap	4.84	kPa	563.48	Calculated Property
Pvap	10.25	kPa	587.82	Calculated Property
Pvap	19.94	kPa	612.15	Calculated Property
Pvap	36.18	kPa	636.48	Calculated Property
Pvap	61.98	kPa	660.82	Calculated Property
Pvap	101.23	kPa	685.15	Calculated Property

Similar Compounds

Find more compounds similar to Hexacosane.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• 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)
• 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
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• 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

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