Chemical Properties of Myristin, 2,3-diaceto-1- (CAS 14473-55-3)

InChI

InChI=1S/C21H38O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-21(24)26-17-20(27-19(3)23)16-25-18(2)22/h20H,4-17H2,1-3H3

InChI Key

WPZADTFNTUIQLK-UHFFFAOYSA-N

Formula

C21H38O6

SMILES

CCCCCCCCCCCCCC(=O)OCC(COC(C)=O)OC(C)=O

Molecular Weight¹

386.52

CAS

14473-55-3

Other Names

• 1-Myristo-2,3-diacetin
• 2,3-Bis(acetyloxy)propyl myristate
• Glycerol, 1-tetradecanoate, diacetate
• Tetradecanoic acid, 2,3-bis(acetyloxy)propyl 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).
• 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	1.0874		Relay (1.0) Calculated Property
ΔfH°gas	-1399.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	59.73	kJ/mol	Joback Calculated Property
ΔvapH°	123.94	kJ/mol	Relay (1.0) Calculated Property
IE	9.48	eV	Relay (1.0) Calculated Property
log10WS	-4.99		Relay (1.0) Calculated Property
logPoct/wat	4.725		Crippen Calculated Property
McVol	329.070	ml/mol	McGowan Calculated Property
Pc	969.88	kPa	Joback Calculated Property
Inp	[2471.00; 2471.00]
Inp	2471.00		NIST
Inp	2471.00		NIST
Tboil	627.04	K	Relay (1.0) Calculated Property
Tc	794.92	K	Relay (1.0) Calculated Property
Tfus	296.25	K	Relay (1.0) Calculated Property
Vc	1.266	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[499.67; 1127.60]	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			5.83440e+01
Coefficient B			1.84036e+00
Coefficient C			-8.38000e-04
Coefficient D			6.69000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	499.67	J/mol×K	273.00	Calculated Property
Cp,gas	607.50	J/mol×K	353.78	Calculated Property
Cp,gas	705.33	J/mol×K	434.56	Calculated Property
Cp,gas	793.35	J/mol×K	515.33	Calculated Property
Cp,gas	871.79	J/mol×K	596.11	Calculated Property
Cp,gas	940.86	J/mol×K	676.89	Calculated Property
Cp,gas	1000.76	J/mol×K	757.67	Calculated Property
Cp,gas	1051.71	J/mol×K	838.44	Calculated Property
Cp,gas	1093.92	J/mol×K	919.22	Calculated Property
Cp,gas	1127.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009805; 0.0000400]	Pa×s	[438.42; 732.33]	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			-1.48988e+01
Coefficient B			3.49478e+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.			438.42
Temperature range, max.			732.33
η	0.0009805	Pa×s	438.42	Calculated Property
η	0.0005642	Pa×s	471.08	Calculated Property
η	0.0003488	Pa×s	503.73	Calculated Property
η	0.0002286	Pa×s	536.39	Calculated Property
η	0.0001573	Pa×s	569.05	Calculated Property
η	0.0001127	Pa×s	601.70	Calculated Property
η	0.0000836	Pa×s	634.36	Calculated Property
η	0.0000638	Pa×s	667.02	Calculated Property
η	0.0000500	Pa×s	699.67	Calculated Property
η	0.0000400	Pa×s	732.33	Calculated Property

Similar Compounds

Find more compounds similar to Myristin, 2,3-diaceto-1-.

Sources

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

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