Chemical Properties of Dodecanoic acid, 2,3-bis(acetyloxy)propyl ester

InChI

InChI=1S/C19H34O6/c1-4-5-6-7-8-9-10-11-12-13-19(22)24-15-18(25-17(3)21)14-23-16(2)20/h18H,4-15H2,1-3H3

InChI Key

NBMAHNZMRSQCPG-UHFFFAOYSA-N

Formula

C19H34O6

SMILES

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

Molecular Weight¹

358.47

Other Names

• 2,3-Bis(acetyloxy)propyl dodecanoate
• Propyl dodecanoic acid, 2,3-bis(acetyloxy)

• 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).
• 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 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	[457.24; 1024.42]	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			6.01620e+01
Coefficient B			1.65036e+00
Coefficient C			-7.29200e-04
Coefficient D			4.31000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	457.24	J/mol×K	273.00	Calculated Property
Cp,gas	554.67	J/mol×K	353.78	Calculated Property
Cp,gas	643.17	J/mol×K	434.56	Calculated Property
Cp,gas	722.89	J/mol×K	515.33	Calculated Property
Cp,gas	793.97	J/mol×K	596.11	Calculated Property
Cp,gas	856.54	J/mol×K	676.89	Calculated Property
Cp,gas	910.73	J/mol×K	757.67	Calculated Property
Cp,gas	956.68	J/mol×K	838.44	Calculated Property
Cp,gas	994.53	J/mol×K	919.22	Calculated Property
Cp,gas	1024.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013259; 0.0000543]	Pa×s	[415.88; 695.28]	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			-1.45761e+01
Coefficient B			3.30646e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			415.88
Temperature range, max.			695.28
η	0.0013259	Pa×s	415.88	Calculated Property
η	0.0007633	Pa×s	446.92	Calculated Property
η	0.0004721	Pa×s	477.97	Calculated Property
η	0.0003096	Pa×s	509.01	Calculated Property
η	0.0002131	Pa×s	540.06	Calculated Property
η	0.0001528	Pa×s	571.10	Calculated Property
η	0.0001134	Pa×s	602.15	Calculated Property
η	0.0000866	Pa×s	633.19	Calculated Property
η	0.0000678	Pa×s	664.24	Calculated Property
η	0.0000543	Pa×s	695.28	Calculated Property

Similar Compounds

Find more compounds similar to Dodecanoic acid, 2,3-bis(acetyloxy)propyl ester.

Sources

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

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