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

394.76

CAS

13475-77-9

Other Names

• 9-Octyleicosane
• 9-n-Octyleicosane

• 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).
• 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
ΔfG°	182.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-626.53	kJ/mol	Joback Calculated Property
ΔfusH°	64.75	kJ/mol	Joback Calculated Property
ΔvapH°	77.53	kJ/mol	Joback Calculated Property
log10WS	-11.30		Crippen 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	839.60	K	Joback Calculated Property
Tc	1029.02	K	Joback Calculated Property
Tfus	[273.70; 273.70]	K
Tfus	273.70 ± 2.00	K	NIST
Tfus	273.70 ± 1.00	K	NIST
Vc	1.597	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1348.34; 1482.23]	J/mol×K	[839.60; 1029.02]
Cp,gas	1348.34	J/mol×K	839.60	Joback Calculated Property
Cp,gas	1373.75	J/mol×K	871.17	Joback Calculated Property
Cp,gas	1397.85	J/mol×K	902.74	Joback Calculated Property
Cp,gas	1420.68	J/mol×K	934.31	Joback Calculated Property
Cp,gas	1442.31	J/mol×K	965.88	Joback Calculated Property
Cp,gas	1462.81	J/mol×K	997.45	Joback Calculated Property
Cp,gas	1482.23	J/mol×K	1029.02	Joback Calculated Property
η	[0.0000300; 0.0017949]	Pa×s	[390.32; 839.60]
η	0.0017949	Pa×s	390.32	Joback Calculated Property
η	0.0005242	Pa×s	465.20	Joback Calculated Property
η	0.0002154	Pa×s	540.08	Joback Calculated Property
η	0.0001099	Pa×s	614.96	Joback Calculated Property
η	0.0000649	Pa×s	689.84	Joback Calculated Property
η	0.0000425	Pa×s	764.72	Joback Calculated Property
η	0.0000300	Pa×s	839.60	Joback Calculated Property
ΔvapH	106.80	kJ/mol	495.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[543.80; 724.41]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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