Chemical Properties of Docosane, 11-butyl- (CAS 13475-76-8)

InChI

InChI=1S/C26H54/c1-4-7-10-12-14-16-18-20-22-25-26(23-9-6-3)24-21-19-17-15-13-11-8-5-2/h26H,4-25H2,1-3H3

InChI Key

HEUYLTACOIADBB-UHFFFAOYSA-N

Formula

C26H54

SMILES

CCCCCCCCCCCC(CCCC)CCCCCCCCCC

Molecular Weight¹

366.71

CAS

13475-76-8

Other Names

• 11-Butyldocosane
• 11-n-Butyldocosane
• Hexadecane, 5-decyl

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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_boilr : Boiling point at reduced pressure (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	1.0140		Relay (1.0) Calculated Property
ΔcH°liquid	-17232.60 ± 6.70	kJ/mol	NIST
ΔfG°	165.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-593.30 ± 7.50	kJ/mol	NIST
ΔfH°liquid	-717.60	kJ/mol	NIST
ΔfusH°	59.57	kJ/mol	Joback Calculated Property
ΔvapH°	123.00 ± 0.80	kJ/mol	NIST
IE	9.77	eV	Relay (1.0) Calculated Property
log10WS	-10.17		Relay (1.0) Calculated Property
logPoct/wat	10.244		Crippen Calculated Property
McVol	377.200	ml/mol	McGowan Calculated Property
Pc	728.10	kPa	Joback Calculated Property
Tboil	616.72	K	Relay (1.0) Calculated Property
Tc	790.72	K	Relay (1.0) Calculated Property
Tfus	[273.15; 273.20]	K
Tfus	273.15	K	NIST
Tfus	273.20 ± 1.00	K	NIST
Tfus	273.20 ± 1.00	K	NIST
Vc	1.469	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[556.73; 1361.23]	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			-2.24280e+01
Coefficient B			2.47976e+00
Coefficient C			-1.39380e-03
Coefficient D			2.97700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	556.73	J/mol×K	273.00	Calculated Property
Cp,gas	693.59	J/mol×K	353.78	Calculated Property
Cp,gas	816.39	J/mol×K	434.56	Calculated Property
Cp,gas	926.07	J/mol×K	515.33	Calculated Property
Cp,gas	1023.56	J/mol×K	596.11	Calculated Property
Cp,gas	1109.81	J/mol×K	676.89	Calculated Property
Cp,gas	1185.76	J/mol×K	757.67	Calculated Property
Cp,gas	1252.36	J/mol×K	838.44	Calculated Property
Cp,gas	1310.53	J/mol×K	919.22	Calculated Property
Cp,gas	1361.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0330748; 0.0000722]	Pa×s	[273.18; 680.54]	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			-1.36454e+01
Coefficient B			2.79642e+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.			273.18
Temperature range, max.			680.54
η	0.0330748	Pa×s	273.18	Calculated Property
η	0.0077200	Pa×s	318.45	Calculated Property
η	0.0025883	Pa×s	363.71	Calculated Property
η	0.0011052	Pa×s	408.97	Calculated Property
η	0.0005592	Pa×s	454.23	Calculated Property
η	0.0003201	Pa×s	499.49	Calculated Property
η	0.0002010	Pa×s	544.76	Calculated Property
η	0.0001356	Pa×s	590.02	Calculated Property
η	0.0000967	Pa×s	635.28	Calculated Property
η	0.0000722	Pa×s	680.54	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[528.28; 701.38]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.68219e+01
Coefficient B			-6.55756e+03
Coefficient C			-1.31677e+02
Temperature range, min.			528.28
Temperature range, max.			701.38
Pvap	1.33	kPa	528.28	Calculated Property
Pvap	2.86	kPa	547.51	Calculated Property
Pvap	5.75	kPa	566.75	Calculated Property
Pvap	10.89	kPa	585.98	Calculated Property
Pvap	19.57	kPa	605.21	Calculated Property
Pvap	33.59	kPa	624.45	Calculated Property
Pvap	55.38	kPa	643.68	Calculated Property
Pvap	88.06	kPa	662.91	Calculated Property
Pvap	135.54	kPa	682.15	Calculated Property
Pvap	202.64	kPa	701.38	Calculated Property

Similar Compounds

Find more compounds similar to Docosane, 11-butyl-.

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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