Chemical Properties of Tetradecanoic acid, hexadecyl ester (CAS 2599-01-1)

InChI

InChI=1S/C30H60O2/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-29-32-30(31)28-26-24-22-20-18-14-12-10-8-6-4-2/h3-29H2,1-2H3

InChI Key

QAKXLTNAJLFSQC-UHFFFAOYSA-N

Formula

C30H60O2

SMILES

CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC

Molecular Weight¹

452.80

CAS

2599-01-1

Other Names

• Myristic acid, hexadecyl ester
• Cetyl myristate
• Hexadecyl tetradecanoate
• Hexadecylmyristate
• Schercemol CM

• 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).
• 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	1.3261		Relay (1.0) Calculated Property
ΔfH°gas	-978.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	77.83	kJ/mol	Joback Calculated Property
ΔvapH°	141.30	kJ/mol	Relay (1.0) Calculated Property
IE	9.97	eV	Relay (1.0) Calculated Property
log10WS	-9.72		Relay (1.0) Calculated Property
logPoct/wat	10.712		Crippen Calculated Property
McVol	441.000	ml/mol	McGowan Calculated Property
Pc	596.92	kPa	Joback Calculated Property
Inp	[3148.72; 3148.72]
Inp	3148.72		NIST
Inp	3148.72		NIST
Tboil	657.31	K	Relay (1.0) Calculated Property
Tc	845.38	K	Relay (1.0) Calculated Property
Tfus	315.09	K	Relay (1.0) Calculated Property
Vc	1.739	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1537.52; 1667.00]	J/mol×K	[944.22; 1171.53]
Cp,gas	1537.52	J/mol×K	944.22	Joback Calculated Property
Cp,gas	1563.54	J/mol×K	982.11	Joback Calculated Property
Cp,gas	1587.66	J/mol×K	1019.99	Joback Calculated Property
Cp,gas	1609.98	J/mol×K	1057.88	Joback Calculated Property
Cp,gas	1630.57	J/mol×K	1095.76	Joback Calculated Property
Cp,gas	1649.55	J/mol×K	1133.65	Joback Calculated Property
Cp,gas	1667.00	J/mol×K	1171.53	Joback Calculated Property
η	[0.0000147; 0.0006320]	Pa×s	[470.19; 944.22]
η	0.0006320	Pa×s	470.19	Joback Calculated Property
η	0.0002149	Pa×s	549.19	Joback Calculated Property
η	0.0000959	Pa×s	628.20	Joback Calculated Property
η	0.0000512	Pa×s	707.20	Joback Calculated Property
η	0.0000310	Pa×s	786.21	Joback Calculated Property
η	0.0000206	Pa×s	865.21	Joback Calculated Property
η	0.0000147	Pa×s	944.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tetradecanoic acid, hexadecyl ester.

Sources

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

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