Chemical Properties of Pentadecane, 2,6,10-trimethyl- (CAS 3892-00-0)

InChI

InChI=1S/C18H38/c1-6-7-8-12-17(4)14-10-15-18(5)13-9-11-16(2)3/h16-18H,6-15H2,1-5H3

InChI Key

LBWPYRZGHYVSEL-UHFFFAOYSA-N

Formula

C18H38

SMILES

CCCCCC(C)CCCC(C)CCCC(C)C

Molecular Weight¹

254.49

CAS

3892-00-0

Other Names

• 2,6,10-Trimethylpentadecane
• Nor-pristane

• 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	0.6764		Relay (1.0) Calculated Property
ΔfG°	93.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-467.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.81	kJ/mol	Joback Calculated Property
ΔvapH°	81.20	kJ/mol	Relay (1.0) Calculated Property
IE	9.46	eV	Relay (1.0) Calculated Property
log10WS	-7.89		Relay (1.0) Calculated Property
logPoct/wat	6.835		Crippen Calculated Property
McVol	264.480	ml/mol	McGowan Calculated Property
Pc	1171.22	kPa	Joback Calculated Property
Inp	[275.46; 1654.00]
Inp	1650.00		NIST
Inp	1640.00		NIST
Inp	1633.00		NIST
Inp	1632.60		NIST
Inp	1647.00		NIST
Inp	1650.00		NIST
Inp	1633.00		NIST
Inp	1633.00		NIST
Inp	1650.00		NIST
Inp	1633.00		NIST
Inp	1649.00		NIST
Inp	1632.00		NIST
Inp	1633.00		NIST
Inp	1633.00		NIST
Inp	1633.00		NIST
Inp	1634.00		NIST
Inp	1638.00		NIST
Inp	1654.00		NIST
Inp	1653.00		NIST
Inp	1652.00		NIST
Inp	1641.00		NIST
Inp	1652.00		NIST
Inp	1632.00		NIST
Inp	1633.00		NIST
Inp	1652.00		NIST
Inp	1634.00		NIST
Inp	Outlier 275.46		NIST
Inp	Outlier 279.10		NIST
Inp	1650.00		NIST
Tboil	556.96	K	Relay (1.0) Calculated Property
Tc	713.35	K	Relay (1.0) Calculated Property
Tfus	222.34	K	Relay (1.0) Calculated Property
Vc	1.013	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[386.39; 949.58]	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			-1.85200e+01
Coefficient B			1.73160e+00
Coefficient C			-9.65000e-04
Coefficient D			2.01500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	386.39	J/mol×K	273.00	Calculated Property
Cp,gas	482.23	J/mol×K	353.78	Calculated Property
Cp,gas	568.26	J/mol×K	434.56	Calculated Property
Cp,gas	645.13	J/mol×K	515.33	Calculated Property
Cp,gas	713.48	J/mol×K	596.11	Calculated Property
Cp,gas	773.93	J/mol×K	676.89	Calculated Property
Cp,gas	827.13	J/mol×K	757.67	Calculated Property
Cp,gas	873.71	J/mol×K	838.44	Calculated Property
Cp,gas	914.32	J/mol×K	919.22	Calculated Property
Cp,gas	949.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0160811; 0.0001531]	Pa×s	[247.62; 542.95]	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			-1.26867e+01
Coefficient B			2.11878e+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.			247.62
Temperature range, max.			542.95
η	0.0160811	Pa×s	247.62	Calculated Property
η	0.0059086	Pa×s	280.43	Calculated Property
η	0.0026777	Pa×s	313.25	Calculated Property
η	0.0014100	Pa×s	346.06	Calculated Property
η	0.0008297	Pa×s	378.88	Calculated Property
η	0.0005313	Pa×s	411.69	Calculated Property
η	0.0003634	Pa×s	444.51	Calculated Property
η	0.0002618	Pa×s	477.32	Calculated Property
η	0.0001968	Pa×s	510.14	Calculated Property
η	0.0001531	Pa×s	542.95	Calculated Property

Similar Compounds

Find more compounds similar to Pentadecane, 2,6,10-trimethyl-.

Sources

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

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