Chemical Properties of Undecane, 6,6-dimethyl- (CAS 17312-76-4)

InChI

InChI=1S/C13H28/c1-5-7-9-11-13(3,4)12-10-8-6-2/h5-12H2,1-4H3

InChI Key

ZFOODCBUKSMZBZ-UHFFFAOYSA-N

Formula

C13H28

SMILES

CCCCCC(C)(C)CCCCC

Molecular Weight¹

184.36

CAS

17312-76-4

Other Names

• 6,6-Dimethylundecane

• 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).
• 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	0.5302		Relay (1.0) Calculated Property
ΔfG°	61.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-324.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.01	kJ/mol	Joback Calculated Property
ΔvapH°	59.54	kJ/mol	Relay (1.0) Calculated Property
IE	9.20	eV	Relay (1.0) Calculated Property
log10WS	-6.68		Relay (1.0) Calculated Property
logPoct/wat	5.173		Crippen Calculated Property
McVol	194.030	ml/mol	McGowan Calculated Property
Pc	1670.06	kPa	Joback Calculated Property
Inp	[1200.00; 1204.00]
Inp	1200.00		NIST
Inp	1204.00		NIST
Inp	1200.00		NIST
Inp	1204.00		NIST
Tboil	487.87	K	Relay (1.0) Calculated Property
Tc	653.64	K	Relay (1.0) Calculated Property
Tfus	213.06	K	Relay (1.0) Calculated Property
Vc	0.726	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[279.80; 691.48]	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			-3.34020e+01
Coefficient B			1.36468e+00
Coefficient C			-8.55200e-04
Coefficient D			2.15400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	279.80	J/mol×K	273.00	Calculated Property
Cp,gas	351.89	J/mol×K	353.78	Calculated Property
Cp,gas	415.81	J/mol×K	434.56	Calculated Property
Cp,gas	472.23	J/mol×K	515.33	Calculated Property
Cp,gas	521.83	J/mol×K	596.11	Calculated Property
Cp,gas	565.30	J/mol×K	676.89	Calculated Property
Cp,gas	603.32	J/mol×K	757.67	Calculated Property
Cp,gas	636.57	J/mol×K	838.44	Calculated Property
Cp,gas	665.73	J/mol×K	919.22	Calculated Property
Cp,gas	691.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0090102; 0.0002434]	Pa×s	[238.69; 464.06]	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			-1.21461e+01
Coefficient B			1.77506e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			238.69
Temperature range, max.			464.06
η	0.0090102	Pa×s	238.69	Calculated Property
η	0.0044471	Pa×s	263.73	Calculated Property
η	0.0024809	Pa×s	288.77	Calculated Property
η	0.0015191	Pa×s	313.81	Calculated Property
η	0.0010001	Pa×s	338.85	Calculated Property
η	0.0006974	Pa×s	363.90	Calculated Property
η	0.0005094	Pa×s	388.94	Calculated Property
η	0.0003865	Pa×s	413.98	Calculated Property
η	0.0003027	Pa×s	439.02	Calculated Property
η	0.0002434	Pa×s	464.06	Calculated Property

Similar Compounds

Find more compounds similar to Undecane, 6,6-dimethyl-.

Sources

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

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