Chemical Properties of Pentadecanoic acid, 2,6,10,14-tetramethyl-, methyl ester (CAS 1001-80-5)

InChI

InChI=1S/C20H40O2/c1-16(2)10-7-11-17(3)12-8-13-18(4)14-9-15-19(5)20(21)22-6/h16-19H,7-15H2,1-6H3

InChI Key

LCWYDFQCGCPILG-UHFFFAOYSA-N

Formula

C20H40O2

SMILES

COC(=O)C(C)CCCC(C)CCCC(C)CCCC(C)C

Molecular Weight¹

312.53

CAS

1001-80-5

Other Names

• Pentadecanoic acid, 2,6,10,14-tetramethyl-, methyl ester, (2RS,6R,10R)-
• 2,6,10,14-Tetramethylpentadecanoic acid, methyl ester
• Methyl nonadecanoate (isoprenoid)
• Pristanic acid, methyl ester

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical 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

Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[444.84; 1061.41]	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			3.38900e+00
Coefficient B			1.87272e+00
Coefficient C			-9.82400e-04
Coefficient D			1.67700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	444.84	J/mol×K	273.00	Calculated Property
Cp,gas	550.39	J/mol×K	353.78	Calculated Property
Cp,gas	645.44	J/mol×K	434.56	Calculated Property
Cp,gas	730.52	J/mol×K	515.33	Calculated Property
Cp,gas	806.17	J/mol×K	596.11	Calculated Property
Cp,gas	872.91	J/mol×K	676.89	Calculated Property
Cp,gas	931.27	J/mol×K	757.67	Calculated Property
Cp,gas	981.79	J/mol×K	838.44	Calculated Property
Cp,gas	1024.99	J/mol×K	919.22	Calculated Property
Cp,gas	1061.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0101742; 0.0000844]	Pa×s	[297.49; 621.51]	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			-1.37803e+01
Coefficient B			2.73464e+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.			297.49
Temperature range, max.			621.51
η	0.0101742	Pa×s	297.49	Calculated Property
η	0.0037716	Pa×s	333.49	Calculated Property
η	0.0016964	Pa×s	369.49	Calculated Property
η	0.0008793	Pa×s	405.50	Calculated Property
η	0.0005074	Pa×s	441.50	Calculated Property
η	0.0003181	Pa×s	477.50	Calculated Property
η	0.0002129	Pa×s	513.50	Calculated Property
η	0.0001502	Pa×s	549.51	Calculated Property
η	0.0001106	Pa×s	585.51	Calculated Property
η	0.0000844	Pa×s	621.51	Calculated Property

Similar Compounds

Find more compounds similar to Pentadecanoic acid, 2,6,10,14-tetramethyl-, methyl ester.

Sources

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

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