Chemical Properties of Decanoic acid, 2-hydroxy-1-(hydroxymethyl)ethyl ester

InChI

InChI=1S/C13H26O4/c1-2-3-4-5-6-7-8-9-13(16)17-12(10-14)11-15/h12,14-15H,2-11H2,1H3

InChI Key

IYVVKFYDGRJWTR-UHFFFAOYSA-N

Formula

C13H26O4

SMILES

CCCCCCCCCC(=O)OC(CO)CO

Molecular Weight¹

246.35

Other Names

• Decanoin, 2-mono-
• Decanoic acid 2-monoglyceride

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_fH°_solid : Solid phase 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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	[322.29; 736.00]	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			2.53800e+01
Coefficient B			1.25792e+00
Coefficient C			-6.52800e-04
Coefficient D			1.05500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	322.29	J/mol×K	273.00	Calculated Property
Cp,gas	393.37	J/mol×K	353.78	Calculated Property
Cp,gas	457.40	J/mol×K	434.56	Calculated Property
Cp,gas	514.70	J/mol×K	515.33	Calculated Property
Cp,gas	565.62	J/mol×K	596.11	Calculated Property
Cp,gas	610.47	J/mol×K	676.89	Calculated Property
Cp,gas	649.61	J/mol×K	757.67	Calculated Property
Cp,gas	683.35	J/mol×K	838.44	Calculated Property
Cp,gas	712.04	J/mol×K	919.22	Calculated Property
Cp,gas	736.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0051087; 0.0000200]	Pa×s	[385.24; 636.94]	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			-1.92973e+01
Coefficient B			5.40124e+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.			385.24
Temperature range, max.			636.94
η	0.0051087	Pa×s	385.24	Calculated Property
η	0.0019778	Pa×s	413.21	Calculated Property
η	0.0008636	Pa×s	441.17	Calculated Property
η	0.0004163	Pa×s	469.14	Calculated Property
η	0.0002178	Pa×s	497.11	Calculated Property
η	0.0001221	Pa×s	525.08	Calculated Property
η	0.0000726	Pa×s	553.04	Calculated Property
η	0.0000454	Pa×s	581.01	Calculated Property
η	0.0000296	Pa×s	608.98	Calculated Property
η	0.0000200	Pa×s	636.94	Calculated Property

Similar Compounds

Find more compounds similar to Decanoic acid, 2-hydroxy-1-(hydroxymethyl)ethyl ester.

Sources

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

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