Chemical Properties of Eicosane, 9-octyl- (CAS 13475-77-9)

InChI

InChI=1S/C28H58/c1-4-7-10-13-16-17-18-21-24-27-28(25-22-19-14-11-8-5-2)26-23-20-15-12-9-6-3/h28H,4-27H2,1-3H3

InChI Key

JNRMADFNKDCLKT-UHFFFAOYSA-N

Formula

C28H58

SMILES

CCCCCCCCCCCC(CCCCCCCC)CCCCCCCC

Molecular Weight¹

394.77

CAS

13475-77-9

Other Names

• 9-Octyleicosane
• 9-n-Octyleicosane

• ω : Acentric Factor.
• C_p,gas : Ideal gas 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_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).
• 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	1.0830		Relay (1.0) Calculated Property
ΔfG°	182.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-622.68	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	64.75	kJ/mol	Joback Calculated Property
ΔvapH°	131.48	kJ/mol	Relay (1.0) Calculated Property
IE	9.83	eV	Relay (1.0) Calculated Property
log10WS	-10.71		Relay (1.0) Calculated Property
logPoct/wat	11.025		Crippen Calculated Property
McVol	405.380	ml/mol	McGowan Calculated Property
Pc	658.14	kPa	Joback Calculated Property
Tboil	629.69	K	Relay (1.0) Calculated Property
Tc	800.89	K	Relay (1.0) Calculated Property
Tfus	[273.70; 273.70]	K
Tfus	273.70 ± 2.00	K	NIST
Tfus	273.70 ± 1.00	K	NIST
Vc	1.579	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[599.15; 1464.41]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.42460e+01
Coefficient B			2.66976e+00
Coefficient C			-1.50260e-03
Coefficient D			3.21500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	599.15	J/mol×K	273.00	Calculated Property
Cp,gas	746.43	J/mol×K	353.78	Calculated Property
Cp,gas	878.55	J/mol×K	434.56	Calculated Property
Cp,gas	996.53	J/mol×K	515.33	Calculated Property
Cp,gas	1101.38	J/mol×K	596.11	Calculated Property
Cp,gas	1194.13	J/mol×K	676.89	Calculated Property
Cp,gas	1275.80	J/mol×K	757.67	Calculated Property
Cp,gas	1347.39	J/mol×K	838.44	Calculated Property
Cp,gas	1409.92	J/mol×K	919.22	Calculated Property
Cp,gas	1464.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0466753; 0.0000540]	Pa×s	[273.70; 720.49]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.39697e+01
Coefficient B			2.98474e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			273.70
Temperature range, max.			720.49
η	0.0466753	Pa×s	273.70	Calculated Property
η	0.0087490	Pa×s	323.34	Calculated Property
η	0.0025608	Pa×s	372.99	Calculated Property
η	0.0010004	Pa×s	422.63	Calculated Property
η	0.0004762	Pa×s	472.27	Calculated Property
η	0.0002610	Pa×s	521.92	Calculated Property
η	0.0001588	Pa×s	571.56	Calculated Property
η	0.0001046	Pa×s	621.20	Calculated Property
η	0.0000733	Pa×s	670.85	Calculated Property
η	0.0000540	Pa×s	720.49	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[543.80; 724.41]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.66252e+01
Coefficient B			-6.64497e+03
Coefficient C			-1.37070e+02
Temperature range, min.			543.80
Temperature range, max.			724.41
Pvap	1.33	kPa	543.80	Calculated Property
Pvap	2.87	kPa	563.87	Calculated Property
Pvap	5.78	kPa	583.94	Calculated Property
Pvap	10.96	kPa	604.00	Calculated Property
Pvap	19.70	kPa	624.07	Calculated Property
Pvap	33.80	kPa	644.14	Calculated Property
Pvap	55.67	kPa	664.21	Calculated Property
Pvap	88.38	kPa	684.27	Calculated Property
Pvap	135.81	kPa	704.34	Calculated Property
Pvap	202.66	kPa	724.41	Calculated Property

Similar Compounds

Find more compounds similar to Eicosane, 9-octyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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