Chemical Properties of Dodecane, 6-methyl- (CAS 6044-71-9)

InChI

InChI=1S/C13H28/c1-4-6-8-10-12-13(3)11-9-7-5-2/h13H,4-12H2,1-3H3

InChI Key

GQIFTXJDMHDJFL-UHFFFAOYSA-N

Formula

C13H28

SMILES

CCCCCCC(C)CCCCC

Molecular Weight¹

184.36

CAS

6044-71-9

Other Names

• 6-Methyldodecane

• 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	0.5672		Relay (1.0) Calculated Property
ΔfG°	56.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-318.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.90	kJ/mol	Joback Calculated Property
ΔvapH°	63.43	kJ/mol	Relay (1.0) Calculated Property
IE	9.51	eV	Relay (1.0) Calculated Property
log10WS	-6.65		Relay (1.0) Calculated Property
logPoct/wat	5.173		Crippen Calculated Property
McVol	194.030	ml/mol	McGowan Calculated Property
Pc	1655.15	kPa	Joback Calculated Property
Inp	[1246.00; 1254.20]
Inp	1251.00		NIST
Inp	1247.00		NIST
Inp	1253.00		NIST
Inp	1254.00		NIST
Inp	1251.00		NIST
Inp	1247.00		NIST
Inp	1253.00		NIST
Inp	1254.20		NIST
Inp	1253.00		NIST
Inp	1250.00		NIST
Inp	1247.00		NIST
Inp	1246.00		NIST
Inp	1253.00		NIST
Inp	1251.00		NIST
Inp	1254.00		NIST
Tboil	492.55	K	Relay (1.0) Calculated Property
Tc	664.04	K	Relay (1.0) Calculated Property
Tfus	215.00 ± 2.00	K	NIST
Vc	0.750	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[280.95; 690.55]	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			-1.06110e+01
Coefficient B			1.24476e+00
Coefficient C			-6.86600e-04
Coefficient D			1.43000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	280.95	J/mol×K	273.00	Calculated Property
Cp,gas	350.16	J/mol×K	353.78	Calculated Property
Cp,gas	412.38	J/mol×K	434.56	Calculated Property
Cp,gas	468.09	J/mol×K	515.33	Calculated Property
Cp,gas	517.71	J/mol×K	596.11	Calculated Property
Cp,gas	561.72	J/mol×K	676.89	Calculated Property
Cp,gas	600.55	J/mol×K	757.67	Calculated Property
Cp,gas	634.67	J/mol×K	838.44	Calculated Property
Cp,gas	664.51	J/mol×K	919.22	Calculated Property
Cp,gas	690.55	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0118804; 0.0002381]	Pa×s	[215.00; 461.99]	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			-1.17461e+01
Coefficient B			1.57234e+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.			215.00
Temperature range, max.			461.99
η	0.0118804	Pa×s	215.00	Calculated Property
η	0.0051918	Pa×s	242.44	Calculated Property
η	0.0026848	Pa×s	269.89	Calculated Property
η	0.0015681	Pa×s	297.33	Calculated Property
η	0.0010030	Pa×s	324.77	Calculated Property
η	0.0006879	Pa×s	352.22	Calculated Property
η	0.0004981	Pa×s	379.66	Calculated Property
η	0.0003768	Pa×s	407.10	Calculated Property
η	0.0002952	Pa×s	434.55	Calculated Property
η	0.0002381	Pa×s	461.99	Calculated Property

Similar Compounds

Find more compounds similar to Dodecane, 6-methyl-.

Sources

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

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