Chemical Properties of Pentacosane (CAS 629-99-2)

InChI

InChI=1S/C25H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3-25H2,1-2H3

InChI Key

YKNWIILGEFFOPE-UHFFFAOYSA-N

Formula

C25H52

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCC

Molecular Weight¹

352.68

CAS

629-99-2

Other Names

• n-pentacosane

• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.0423		Relay (1.0) Calculated Property
ΔfG°	159.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-568.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	55.53	kJ/mol	Solid liquid equilibria and purity determination for binary n-alkane + naphthalene systems
ΔsubH°	174.00 ± 10.00	kJ/mol	NIST
ΔvapH°	[126.80; 129.80]	kJ/mol
ΔvapH°	126.80	kJ/mol	NIST
ΔvapH°	128.60 ± 2.20	kJ/mol	NIST
ΔvapH°	127.60 ± 0.80	kJ/mol	NIST
ΔvapH°	129.80 ± 2.90	kJ/mol	NIST
IE	10.06	eV	Relay (1.0) Calculated Property
log10WS	-10.04		Relay (1.0) Calculated Property
logPoct/wat	9.998		Crippen Calculated Property
McVol	363.110	ml/mol	McGowan Calculated Property
Pc	763.95	kPa	Joback Calculated Property
Inp	[394.59; 402.21]
Inp	394.59		NIST
Inp	402.21		NIST
S°solid,1 bar	671.10	J/mol×K	NIST
Tboil	675.10	K	NIST
Tc	776.82	K	Relay (1.0) Calculated Property
Tfus	[325.50; 328.90]	K
Tfus	326.65	K	KDB
Tfus	327.20 ± 0.40	K	NIST
Tfus	326.00 ± 0.10	K	NIST
Tfus	326.70 ± 0.30	K	NIST
Tfus	326.15 ± 2.00	K	NIST
Tfus	327.65 ± 2.00	K	NIST
Tfus	326.50 ± 0.60	K	NIST
Tfus	326.15 ± 3.00	K	NIST
Tfus	326.60 ± 0.20	K	NIST
Tfus	326.50 ± 0.60	K	NIST
Tfus	326.50 ± 0.50	K	NIST
Tfus	325.50 ± 3.00	K	NIST
Tfus	325.50 ± 2.00	K	NIST
Tfus	326.90 ± 2.00	K	NIST
Tfus	Outlier 328.90 ± 1.00	K	NIST
Tfus	327.10 ± 1.00	K	NIST
Tfus	327.00 ± 3.00	K	NIST
Vc	1.488	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1151.67; 1276.58]	J/mol×K	[771.60; 945.10]
Cp,gas	1151.67	J/mol×K	771.60	Joback Calculated Property
Cp,gas	1175.06	J/mol×K	800.52	Joback Calculated Property
Cp,gas	1197.37	J/mol×K	829.43	Joback Calculated Property
Cp,gas	1218.63	J/mol×K	858.35	Joback Calculated Property
Cp,gas	1238.89	J/mol×K	887.27	Joback Calculated Property
Cp,gas	1258.20	J/mol×K	916.18	Joback Calculated Property
Cp,gas	1276.58	J/mol×K	945.10	Joback Calculated Property
Cp,liquid	[812.00; 861.00]	J/mol×K	[330.00; 370.00]
Cp,liquid	812.00	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
Cp,liquid	815.90	J/mol×K	333.00	NIST
Cp,liquid	824.00	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
Cp,liquid	836.00	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
Cp,liquid	849.00	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
Cp,liquid	861.00	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
Cp,solid	769.00	J/mol×K	294.50	NIST
η	[0.0000503; 0.0020715]	Pa×s	[371.51; 771.60]
η	0.0020715	Pa×s	371.51	Joback Calculated Property
η	0.0006955	Pa×s	438.19	Joback Calculated Property
η	0.0003115	Pa×s	504.87	Joback Calculated Property
η	0.0001683	Pa×s	571.55	Joback Calculated Property
η	0.0001034	Pa×s	638.24	Joback Calculated Property
η	0.0000697	Pa×s	704.92	Joback Calculated Property
η	0.0000503	Pa×s	771.60	Joback Calculated Property
ΔfusH	[26.07; 79.39]	kJ/mol	[320.20; 326.70]
ΔfusH	26.07	kJ/mol	320.20	NIST
ΔfusH	55.53	kJ/mol	325.90	NIST
ΔfusH	57.80	kJ/mol	326.40	NIST
ΔfusH	79.39	kJ/mol	326.60	NIST
ΔfusH	57.74	kJ/mol	326.70	NIST
ΔfusH	57.74	kJ/mol	326.70	NIST
ΔvapH	[90.90; 126.80]	kJ/mol	[298.00; 566.00]
ΔvapH	119.10	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	126.80	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	126.00 ± 1.00	kJ/mol	415.50	NIST
ΔvapH	106.60	kJ/mol	422.00	NIST
ΔvapH	97.60	kJ/mol	460.50	NIST
ΔvapH	90.90 ± 5.70	kJ/mol	479.50	NIST
ΔvapH	99.20	kJ/mol	566.00	NIST
Pvap	[3.31e-04; 0.09]	kPa	[381.69; 461.98]
Pvap	3.31e-04	kPa	381.69	Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
Pvap	7.83e-04	kPa	391.91	Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
Pvap	1.78e-03	kPa	402.03	Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
Pvap	3.83e-03	kPa	411.75	Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
Pvap	3.83e-03	kPa	411.78	Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
Pvap	8.02e-03	kPa	422.02	Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
Pvap	0.02	kPa	432.21	Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
Pvap	0.03	kPa	442.33	Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
Pvap	0.03	kPa	442.34	Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
Pvap	0.05	kPa	452.24	Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
Pvap	0.05	kPa	452.25	Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
Pvap	0.09	kPa	461.95	Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
Pvap	0.09	kPa	461.98	Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
Pvap	0.09	kPa	461.98	Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
ΔfusS	[81.42; 243.10]	J/mol×K	[320.20; 326.70]
ΔfusS	81.42	J/mol×K	320.20	NIST
ΔfusS	243.10	J/mol×K	326.60	NIST
ΔfusS	176.76	J/mol×K	326.70	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[2.09e-05; 42.74]	kPa	[355.15; 675.15]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			5.22396e+02
Coefficient B			-3.82614e+04
Coefficient C			-7.31253e+01
Coefficient D			3.16722e-05
Temperature range, min.			355.15
Temperature range, max.			675.15
Pvap	2.09e-05	kPa	355.15	Calculated Property
Pvap	8.19e-04	kPa	390.71	Calculated Property
Pvap	0.01	kPa	426.26	Calculated Property
Pvap	0.10	kPa	461.82	Calculated Property
Pvap	0.47	kPa	497.37	Calculated Property
Pvap	1.63	kPa	532.93	Calculated Property
Pvap	4.46	kPa	568.48	Calculated Property
Pvap	10.39	kPa	604.04	Calculated Property
Pvap	21.77	kPa	639.59	Calculated Property
Pvap	42.74	kPa	675.15	Calculated Property

Similar Compounds

Find more compounds similar to Pentacosane.

Mixtures

• Pentacosane + Naphthalene

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Solid liquid equilibria and purity determination for binary n-alkane + naphthalene 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
• Vapor Pressures and Vaporization Enthalpies of the n-Alkanes from C21 to C30 at T = 298.15 K by Correlation Gas Chromatography
• Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
• Joback Method
• KDB
• 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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