Chemical Properties of Docosane, 11-decyl- (CAS 55401-55-3)

InChI

InChI=1S/C32H66/c1-4-7-10-13-16-19-22-25-28-31-32(29-26-23-20-17-14-11-8-5-2)30-27-24-21-18-15-12-9-6-3/h32H,4-31H2,1-3H3

InChI Key

ZTLKOYAJKRWSKL-UHFFFAOYSA-N

Formula

C32H66

SMILES

CCCCCCCCCCCC(CCCCCCCCCC)CCCCCCCCCC

Molecular Weight¹

450.87

CAS

55401-55-3

Other Names

• 11-Decyldocosane
• 11-n-Decyldocosane

• 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	1.2236		Relay (1.0) Calculated Property
ΔfG°	216.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-705.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	75.11	kJ/mol	Joback Calculated Property
ΔvapH°	150.82	kJ/mol	Relay (1.0) Calculated Property
IE	9.98	eV	Relay (1.0) Calculated Property
log10WS	-11.80		Relay (1.0) Calculated Property
logPoct/wat	12.585		Crippen Calculated Property
McVol	461.740	ml/mol	McGowan Calculated Property
Pc	545.39	kPa	Joback Calculated Property
Tboil	654.70	K	Relay (1.0) Calculated Property
Tc	824.51	K	Relay (1.0) Calculated Property
Tfus	[274.20; 274.20]	K
Tfus	274.20 ± 1.00	K	NIST
Tfus	274.20 ± 2.00	K	NIST
Vc	1.799	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[684.01; 1670.78]	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			-2.78820e+01
Coefficient B			3.04976e+00
Coefficient C			-1.72020e-03
Coefficient D			3.69100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	684.01	J/mol×K	273.00	Calculated Property
Cp,gas	852.10	J/mol×K	353.78	Calculated Property
Cp,gas	1002.86	J/mol×K	434.56	Calculated Property
Cp,gas	1137.44	J/mol×K	515.33	Calculated Property
Cp,gas	1257.03	J/mol×K	596.11	Calculated Property
Cp,gas	1362.78	J/mol×K	676.89	Calculated Property
Cp,gas	1455.86	J/mol×K	757.67	Calculated Property
Cp,gas	1537.44	J/mol×K	838.44	Calculated Property
Cp,gas	1608.69	J/mol×K	919.22	Calculated Property
Cp,gas	1670.78	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0931135; 0.0000281]	Pa×s	[274.20; 809.14]	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			-1.46328e+01
Coefficient B			3.36138e+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.			274.20
Temperature range, max.			809.14
η	0.0931135	Pa×s	274.20	Calculated Property
η	0.0104844	Pa×s	333.64	Calculated Property
η	0.0022851	Pa×s	393.08	Calculated Property
η	0.0007432	Pa×s	452.51	Calculated Property
η	0.0003137	Pa×s	511.95	Calculated Property
η	0.0001585	Pa×s	571.39	Calculated Property
η	0.0000910	Pa×s	630.83	Calculated Property
η	0.0000575	Pa×s	690.27	Calculated Property
η	0.0000391	Pa×s	749.70	Calculated Property
η	0.0000281	Pa×s	809.14	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[564.00; 770.17]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.55439e+01
Coefficient B			-6.40628e+03
Coefficient C			-1.44090e+02
Temperature range, min.			564.00
Temperature range, max.			770.17
Pvap	1.33	kPa	564.00	Calculated Property
Pvap	2.94	kPa	586.91	Calculated Property
Pvap	5.98	kPa	609.82	Calculated Property
Pvap	11.40	kPa	632.72	Calculated Property
Pvap	20.50	kPa	655.63	Calculated Property
Pvap	35.07	kPa	678.54	Calculated Property
Pvap	57.39	kPa	701.45	Calculated Property
Pvap	90.35	kPa	724.35	Calculated Property
Pvap	137.41	kPa	747.26	Calculated Property
Pvap	202.67	kPa	770.17	Calculated Property

Similar Compounds

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

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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