Chemical Properties of Hexadecane, 2,6,10,14-tetramethyl- (CAS 638-36-8)

InChI

InChI=1S/C20H42/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h17-20H,7-16H2,1-6H3

InChI Key

GGYKPYDKXLHNTI-UHFFFAOYSA-N

Formula

C20H42

SMILES

CCC(C)CCCC(C)CCCC(C)CCCC(C)C

Molecular Weight¹

282.55

CAS

638-36-8

Other Names

• Phytan
• Phytane
• 2,6,10,14-Tetramethylhexadecane
• 2,6,10,14-Tetramethylhexadecane (phytane)

• 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	0.7115		Relay (1.0) Calculated Property
ΔfG°	107.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-536.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.46	kJ/mol	Joback Calculated Property
ΔvapH°	87.69	kJ/mol	Relay (1.0) Calculated Property
IE	9.47	eV	Relay (1.0) Calculated Property
log10WS	-8.36		Relay (1.0) Calculated Property
logPoct/wat	7.472		Crippen Calculated Property
McVol	292.660	ml/mol	McGowan Calculated Property
Pc	1036.57	kPa	Joback Calculated Property
Inp	[298.42; 1816.00]
Inp	1795.00		NIST
Inp	1789.00		NIST
Inp	1811.00		NIST
Inp	1791.00		NIST
Inp	1814.00		NIST
Inp	1814.00		NIST
Inp	1800.00		NIST
Inp	1787.00		NIST
Inp	1791.00		NIST
Inp	1786.60		NIST
Inp	1811.00		NIST
Inp	1814.00		NIST
Inp	1790.00		NIST
Inp	1814.00		NIST
Inp	1791.00		NIST
Inp	1811.00		NIST
Inp	1787.00		NIST
Inp	1789.00		NIST
Inp	1790.00		NIST
Inp	1791.00		NIST
Inp	1792.00		NIST
Inp	1793.00		NIST
Inp	1810.70		NIST
Inp	1809.50		NIST
Inp	1815.00		NIST
Inp	1816.00		NIST
Inp	1812.00		NIST
Inp	1811.00		NIST
Inp	1795.00		NIST
Inp	1804.00		NIST
Inp	1809.00		NIST
Inp	1816.00		NIST
Inp	1813.00		NIST
Inp	1789.00		NIST
Inp	1808.00		NIST
Inp	1811.00		NIST
Inp	1806.00		NIST
Inp	1815.00		NIST
Inp	1812.00		NIST
Inp	1810.00		NIST
Inp	1792.00		NIST
Inp	1811.00		NIST
Inp	1812.00		NIST
Inp	1793.00		NIST
Inp	Outlier 298.42		NIST
Inp	Outlier 303.08		NIST
Tboil	575.75	K	Relay (1.0) Calculated Property
Tc	733.77	K	Relay (1.0) Calculated Property
Tfus	218.22	K	Relay (1.0) Calculated Property
Vc	1.113	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[428.50; 1053.30]	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			-2.20200e+01
Coefficient B			1.92752e+00
Coefficient C			-1.07700e-03
Coefficient D			2.24800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	428.50	J/mol×K	273.00	Calculated Property
Cp,gas	535.05	J/mol×K	353.78	Calculated Property
Cp,gas	630.66	J/mol×K	434.56	Calculated Property
Cp,gas	716.04	J/mol×K	515.33	Calculated Property
Cp,gas	791.90	J/mol×K	596.11	Calculated Property
Cp,gas	858.96	J/mol×K	676.89	Calculated Property
Cp,gas	917.91	J/mol×K	757.67	Calculated Property
Cp,gas	969.48	J/mol×K	838.44	Calculated Property
Cp,gas	1014.37	J/mol×K	919.22	Calculated Property
Cp,gas	1053.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0197594; 0.0001180]	Pa×s	[255.16; 576.20]	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			-1.31141e+01
Coefficient B			2.34492e+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.			255.16
Temperature range, max.			576.20
η	0.0197594	Pa×s	255.16	Calculated Property
η	0.0064011	Pa×s	290.83	Calculated Property
η	0.0026527	Pa×s	326.50	Calculated Property
η	0.0013077	Pa×s	362.17	Calculated Property
η	0.0007318	Pa×s	397.84	Calculated Property
η	0.0004506	Pa×s	433.51	Calculated Property
η	0.0002986	Pa×s	469.18	Calculated Property
η	0.0002098	Pa×s	504.85	Calculated Property
η	0.0001544	Pa×s	540.52	Calculated Property
η	0.0001180	Pa×s	576.20	Calculated Property

Similar Compounds

Find more compounds similar to Hexadecane, 2,6,10,14-tetramethyl-.

Sources

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

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