Chemical Properties of Heneicosane, 11-pentyl- (CAS 14739-72-1)

InChI

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

InChI Key

MSKKJKLPGKYANX-UHFFFAOYSA-N

Formula

C26H54

SMILES

CCCCCCCCCCC(CCCCC)CCCCCCCCCC

Molecular Weight¹

366.71

CAS

14739-72-1

Other Names

• 11-n-Pentylheneicosane
• 11-Pentylhenicosane
• Hexadecane, 6-decyl
• 11-Pentylheneicosane

• 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).
• I_np : Non-polar retention indices.
• 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	1.0128		Relay (1.0) Calculated Property
ΔfG°	165.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-581.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	59.57	kJ/mol	Joback Calculated Property
ΔvapH°	120.74	kJ/mol	Relay (1.0) Calculated Property
IE	9.76	eV	Relay (1.0) Calculated Property
log10WS	-10.16		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
Inp	[2453.00; 2453.00]
Inp	2453.00		NIST
Inp	2453.00		NIST
Tboil	617.02	K	Relay (1.0) Calculated Property
Tc	787.47	K	Relay (1.0) Calculated Property
Tfus	[264.05; 264.10]	K
Tfus	264.05	K	NIST
Tfus	264.10 ± 0.60	K	NIST
Tfus	264.10 ± 0.60	K	NIST
Vc	1.468	m3/kmol	Relay (1.0) Calculated Property

Temperature 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	[0.0470639; 0.0000722]	Pa×s	[264.08; 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.			264.08
Temperature range, max.			680.54
η	0.0470639	Pa×s	264.08	Calculated Property
η	0.0097055	Pa×s	310.36	Calculated Property
η	0.0030150	Pa×s	356.63	Calculated Property
η	0.0012251	Pa×s	402.90	Calculated Property
η	0.0005993	Pa×s	449.18	Calculated Property
η	0.0003351	Pa×s	495.45	Calculated Property
η	0.0002069	Pa×s	541.72	Calculated Property
η	0.0001378	Pa×s	588.00	Calculated Property
η	0.0000974	Pa×s	634.27	Calculated Property
η	0.0000722	Pa×s	680.54	Calculated Property

Similar Compounds

Find more compounds similar to Heneicosane, 11-pentyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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