Chemical Properties of Octacosane (CAS 630-02-4)

InChI

InChI=1S/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3

InChI Key

ZYURHZPYMFLWSH-UHFFFAOYSA-N

Formula

C28H58

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCC

Molecular Weight¹

394.76

CAS

630-02-4

Other Names

• n-Octacosane

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid 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_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_sub : Sublimation 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).
• 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_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	1.1478		Relay (1.0) Calculated Property
ΔfG°	184.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-629.93	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.53	kJ/mol	Measurement of enthalpy curves of phase change materials via DSC and T-History: When are both methods needed to estimate the behaviour of the bulk material in applications?
ΔsubH°	209.00 ± 10.00	kJ/mol	NIST
ΔvapH°	[141.90; 152.40]	kJ/mol
ΔvapH°	141.90	kJ/mol	NIST
ΔvapH°	150.80 ± 0.50	kJ/mol	NIST
ΔvapH°	150.70 ± 1.70	kJ/mol	NIST
ΔvapH°	152.40 ± 2.90	kJ/mol	NIST
IE	10.16	eV	Relay (1.0) Calculated Property
log10WS	-10.85		Relay (1.0) Calculated Property
logPoct/wat	11.169		Crippen Calculated Property
McVol	405.380	ml/mol	McGowan Calculated Property
Pc	655.44	kPa	Joback Calculated Property
Inp	[442.42; 461.80]
Inp	442.42		NIST
Inp	461.80		NIST
Inp	461.80		NIST
Tboil	704.80	K	NIST
Tc	836.00	K	Critical temperatures and pressures of C40, C44, and C60 normal alkanes measured by the pulse-heating technique
Tfus	334.55	K	KDB
Ttriple	[330.40; 333.98]	K
Ttriple	330.40	K	Thermal conductivity of heavy, even-carbon number n-alkanes (C22 to C32)
Ttriple	333.98 ± 0.70	K	NIST
Vc	1.654	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1347.97; 1482.44]	J/mol×K	[840.04; 1030.18]
Cp,gas	1347.97	J/mol×K	840.04	Joback Calculated Property
Cp,gas	1373.48	J/mol×K	871.73	Joback Calculated Property
Cp,gas	1397.66	J/mol×K	903.42	Joback Calculated Property
Cp,gas	1420.59	J/mol×K	935.11	Joback Calculated Property
Cp,gas	1442.33	J/mol×K	966.80	Joback Calculated Property
Cp,gas	1462.92	J/mol×K	998.49	Joback Calculated Property
Cp,gas	1482.44	J/mol×K	1030.18	Joback Calculated Property
Cp,liquid	937.00	J/mol×K	353.00	NIST
η	[0.0003995; 0.0018142]	Pa×s	[398.15; 573.15]
η	0.0018142	Pa×s	398.15	Liquid Viscosity and Surface Tension of n-Dodecane, n-Octacosane, Their Mixtures, and a Wax between 323 and 573 K by Surface Light Scattering
η	0.0013609	Pa×s	423.15	Liquid Viscosity and Surface Tension of n-Dodecane, n-Octacosane, Their Mixtures, and a Wax between 323 and 573 K by Surface Light Scattering
η	0.0010252	Pa×s	448.15	Liquid Viscosity and Surface Tension of n-Dodecane, n-Octacosane, Their Mixtures, and a Wax between 323 and 573 K by Surface Light Scattering
η	0.0008318	Pa×s	473.15	Liquid Viscosity and Surface Tension of n-Dodecane, n-Octacosane, Their Mixtures, and a Wax between 323 and 573 K by Surface Light Scattering
η	0.0006847	Pa×s	498.15	Liquid Viscosity and Surface Tension of n-Dodecane, n-Octacosane, Their Mixtures, and a Wax between 323 and 573 K by Surface Light Scattering
η	0.0005675	Pa×s	523.15	Liquid Viscosity and Surface Tension of n-Dodecane, n-Octacosane, Their Mixtures, and a Wax between 323 and 573 K by Surface Light Scattering
η	0.0004753	Pa×s	548.15	Liquid Viscosity and Surface Tension of n-Dodecane, n-Octacosane, Their Mixtures, and a Wax between 323 and 573 K by Surface Light Scattering
η	0.0003995	Pa×s	573.15	Liquid Viscosity and Surface Tension of n-Dodecane, n-Octacosane, Their Mixtures, and a Wax between 323 and 573 K by Surface Light Scattering
ΔfusH	[35.44; 67.38]	kJ/mol	[331.30; 334.50]
ΔfusH	35.44	kJ/mol	331.30	NIST
ΔfusH	63.00	kJ/mol	333.40	NIST
ΔfusH	67.38	kJ/mol	334.20	NIST
ΔfusH	64.64	kJ/mol	334.50	NIST
ΔfusH	64.64	kJ/mol	334.50	NIST
ΔsubH	195.80 ± 2.20	kJ/mol	326.00	NIST
ΔvapH	[98.10; 141.90]	kJ/mol	[298.00; 593.00]
ΔvapH	128.60	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	141.90	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	131.70	kJ/mol	345.00	NIST
ΔvapH	117.40 ± 1.20	kJ/mol	375.50	NIST
ΔvapH	135.00 ± 3.00	kJ/mol	431.50	NIST
ΔvapH	118.50	kJ/mol	435.50	NIST
ΔvapH	105.50	kJ/mol	459.50	NIST
ΔvapH	103.10 ± 3.00	kJ/mol	494.00	NIST
ΔvapH	99.27 ± 0.06	kJ/mol	510.00	NIST
ΔvapH	100.60	kJ/mol	512.50	NIST
ΔvapH	98.10	kJ/mol	512.50	NIST
ΔvapH	100.50	kJ/mol	535.50	NIST
ΔvapH	106.60	kJ/mol	593.00	NIST
Psub	[1.17e-08; 4.39e-08]	kPa	[323.05; 329.02]
Psub	1.17e-08	kPa	323.05	Vapor and Sublimation Pressures of Three Normal Alkanes: C20, C24, and C28
Psub	2.37e-08	kPa	326.15	Vapor and Sublimation Pressures of Three Normal Alkanes: C20, C24, and C28
Psub	4.39e-08	kPa	329.02	Vapor and Sublimation Pressures of Three Normal Alkanes: C20, C24, and C28
Pvap	[2.14e-06; 1.70]	kPa	[354.01; 550.62]
Pvap	2.14e-06	kPa	354.01	A Gas Saturation Apparatus for Very Low Vapor or Sublimation Pressure Measurements (10-3 Pa): Vapor-Liquid Equilibria of n-Alkanes (n-C10, n-C24, n-C28)
Pvap	1.77e-05	kPa	373.92	A Gas Saturation Apparatus for Very Low Vapor or Sublimation Pressure Measurements (10-3 Pa): Vapor-Liquid Equilibria of n-Alkanes (n-C10, n-C24, n-C28)
Pvap	1.80e-05	kPa	373.92	A Gas Saturation Apparatus for Very Low Vapor or Sublimation Pressure Measurements (10-3 Pa): Vapor-Liquid Equilibria of n-Alkanes (n-C10, n-C24, n-C28)
Pvap	1.26e-04	kPa	393.65	A Gas Saturation Apparatus for Very Low Vapor or Sublimation Pressure Measurements (10-3 Pa): Vapor-Liquid Equilibria of n-Alkanes (n-C10, n-C24, n-C28)
Pvap	1.22e-04	kPa	393.65	A Gas Saturation Apparatus for Very Low Vapor or Sublimation Pressure Measurements (10-3 Pa): Vapor-Liquid Equilibria of n-Alkanes (n-C10, n-C24, n-C28)
Pvap	6.33e-04	kPa	413.50	A Gas Saturation Apparatus for Very Low Vapor or Sublimation Pressure Measurements (10-3 Pa): Vapor-Liquid Equilibria of n-Alkanes (n-C10, n-C24, n-C28)
Pvap	6.51e-04	kPa	413.50	A Gas Saturation Apparatus for Very Low Vapor or Sublimation Pressure Measurements (10-3 Pa): Vapor-Liquid Equilibria of n-Alkanes (n-C10, n-C24, n-C28)
Pvap	6.30e-04	kPa	413.50	A Gas Saturation Apparatus for Very Low Vapor or Sublimation Pressure Measurements (10-3 Pa): Vapor-Liquid Equilibria of n-Alkanes (n-C10, n-C24, n-C28)
Pvap	2.93e-03	kPa	433.32	A Gas Saturation Apparatus for Very Low Vapor or Sublimation Pressure Measurements (10-3 Pa): Vapor-Liquid Equilibria of n-Alkanes (n-C10, n-C24, n-C28)
Pvap	0.01	kPa	453.28	A Gas Saturation Apparatus for Very Low Vapor or Sublimation Pressure Measurements (10-3 Pa): Vapor-Liquid Equilibria of n-Alkanes (n-C10, n-C24, n-C28)
Pvap	0.04	kPa	473.64	A Gas Saturation Apparatus for Very Low Vapor or Sublimation Pressure Measurements (10-3 Pa): Vapor-Liquid Equilibria of n-Alkanes (n-C10, n-C24, n-C28)
Pvap	0.16	kPa	494.80	A Gas Saturation Apparatus for Very Low Vapor or Sublimation Pressure Measurements (10-3 Pa): Vapor-Liquid Equilibria of n-Alkanes (n-C10, n-C24, n-C28)
Pvap	0.43	kPa	516.89	A Gas Saturation Apparatus for Very Low Vapor or Sublimation Pressure Measurements (10-3 Pa): Vapor-Liquid Equilibria of n-Alkanes (n-C10, n-C24, n-C28)
Pvap	1.70	kPa	550.62	Vapor-Liquid Equilibria of Binary Systems with Long-Chain Organic Compounds (Fatty Alcohol, Fatty Ester, Acylglycerol, and n-Paraffin) at Subatmospheric Pressures
ΔfusS	[106.98; 193.28]	J/mol×K	[331.30; 334.50]
ΔfusS	106.98	J/mol×K	331.30	NIST
ΔfusS	193.28	J/mol×K	334.50	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[546.01; 741.12]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.69575e+01
Coefficient B			-7.53939e+03
Coefficient C			-9.37360e+01
Temperature range, min.			546.01
Temperature range, max.			741.12
Pvap	1.33	kPa	546.01	Calculated Property
Pvap	2.86	kPa	567.69	Calculated Property
Pvap	5.73	kPa	589.37	Calculated Property
Pvap	10.84	kPa	611.05	Calculated Property
Pvap	19.48	kPa	632.73	Calculated Property
Pvap	33.46	kPa	654.40	Calculated Property
Pvap	55.20	kPa	676.08	Calculated Property
Pvap	87.84	kPa	697.76	Calculated Property
Pvap	135.37	kPa	719.44	Calculated Property
Pvap	202.66	kPa	741.12	Calculated Property
Pvap	[0.07; 100.41]	kPa	[481.15; 704.15]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			3.55627e+02
Coefficient B			-3.27960e+04
Coefficient C			-4.75245e+01
Coefficient D			1.44719e-05
Temperature range, min.			481.15
Temperature range, max.			704.15
Pvap	0.07	kPa	481.15	Calculated Property
Pvap	0.25	kPa	505.93	Calculated Property
Pvap	0.76	kPa	530.71	Calculated Property
Pvap	2.02	kPa	555.48	Calculated Property
Pvap	4.75	kPa	580.26	Calculated Property
Pvap	10.09	kPa	605.04	Calculated Property
Pvap	19.67	kPa	629.82	Calculated Property
Pvap	35.77	kPa	654.59	Calculated Property
Pvap	61.37	kPa	679.37	Calculated Property
Pvap	100.41	kPa	704.15	Calculated Property

Similar Compounds

Find more compounds similar to Octacosane.

Mixtures

• Dodecane + Octacosane
• Toluene + Octacosane
• Octacosane + Ethanol
• 1-Dodecanol + Octacosane
• Octacosane + Decane
• Nonane, 2-methyl- + Octacosane
• Nonane, 4-methyl- + Octacosane
• Octacosane + Formic acid
• Octacosane + Acetic acid
• Octacosane + Ethanol + Decane

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Experimental solubility data of various n-alkane waxes: effects of alkane chain length, alkane odd versus even carbon number structures, and solvent chemistry on solubility
• 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)
• Measurement of enthalpy curves of phase change materials via DSC and T-History: When are both methods needed to estimate the behaviour of the bulk material in applications?
• 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
• Liquid Viscosity and Surface Tension of n-Dodecane, n-Octacosane, Their Mixtures, and a Wax between 323 and 573 K by Surface Light Scattering
• Vapor-Liquid Equilibria of Binary Systems with Long-Chain Organic Compounds (Fatty Alcohol, Fatty Ester, Acylglycerol, and n-Paraffin) at Subatmospheric Pressures
• Liquid Viscosity and Interfacial Tension of Binary and Ternary Mixtures Containing n-Octacosane by Surface Light Scattering
• Vapor Pressures and Vaporization Enthalpies of the n-Alkanes from C21 to C30 at T = 298.15 K by Correlation Gas Chromatography
• A Gas Saturation Apparatus for Very Low Vapor or Sublimation Pressure Measurements (10-3 Pa): Vapor-Liquid Equilibria of n-Alkanes (n-C10, n-C24, n-C28)
• Vapor and Sublimation Pressures of Three Normal Alkanes: C20, C24, and C28
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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