Chemical Properties of Myristic acid vinyl ester (CAS 5809-91-6)

InChI

InChI=1S/C16H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h4H,2-3,5-15H2,1H3

InChI Key

ZQZUENMXBZVXIZ-UHFFFAOYSA-N

Formula

C16H30O2

SMILES

C=COC(=O)CCCCCCCCCCCCC

Molecular Weight¹

254.41

CAS

5809-91-6

Other Names

• Vinyl tetradecanoate

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8599		Relay (1.0) Calculated Property
ΔfH°gas	-582.88	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.28	kJ/mol	Joback Calculated Property
ΔvapH°	84.85	kJ/mol	Relay (1.0) Calculated Property
IE	9.43	eV	Relay (1.0) Calculated Property
log10WS	-5.63		Relay (1.0) Calculated Property
logPoct/wat	5.374		Crippen Calculated Property
McVol	239.440	ml/mol	McGowan Calculated Property
Pc	1364.66	kPa	Joback Calculated Property
Inp	[1784.20; 1784.20]
Inp	1784.20		NIST
Inp	1784.20		NIST
Tboil	560.84	K	Relay (1.0) Calculated Property
Tc	735.98	K	Relay (1.0) Calculated Property
Tfus	275.70	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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	[351.43; 824.38]	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			1.07620e+01
Coefficient B			1.44902e+00
Coefficient C			-7.74900e-04
Coefficient D			1.39500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	351.43	J/mol×K	273.00	Calculated Property
Cp,gas	432.58	J/mol×K	353.78	Calculated Property
Cp,gas	505.56	J/mol×K	434.56	Calculated Property
Cp,gas	570.79	J/mol×K	515.33	Calculated Property
Cp,gas	628.73	J/mol×K	596.11	Calculated Property
Cp,gas	679.81	J/mol×K	676.89	Calculated Property
Cp,gas	724.47	J/mol×K	757.67	Calculated Property
Cp,gas	763.16	J/mol×K	838.44	Calculated Property
Cp,gas	796.32	J/mol×K	919.22	Calculated Property
Cp,gas	824.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0036129; 0.0001784]	Pa×s	[310.65; 551.18]	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			-1.25170e+01
Coefficient B			2.14156e+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.			310.65
Temperature range, max.			551.18
η	0.0036129	Pa×s	310.65	Calculated Property
η	0.0020926	Pa×s	337.38	Calculated Property
η	0.0013132	Pa×s	364.10	Calculated Property
η	0.0008784	Pa×s	390.83	Calculated Property
η	0.0006185	Pa×s	417.55	Calculated Property
η	0.0004543	Pa×s	444.28	Calculated Property
η	0.0003456	Pa×s	471.00	Calculated Property
η	0.0002707	Pa×s	497.73	Calculated Property
η	0.0002174	Pa×s	524.45	Calculated Property
η	0.0001784	Pa×s	551.18	Calculated Property

Similar Compounds

Find more compounds similar to Myristic acid vinyl ester.

Sources

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

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