Chemical Properties of 2-Ethylhexyl tridecanoate

InChI

InChI=1S/C21H42O2/c1-4-7-9-10-11-12-13-14-15-16-18-21(22)23-19-20(6-3)17-8-5-2/h20H,4-19H2,1-3H3

InChI Key

VLUCLKQLSQKOPQ-UHFFFAOYSA-N

Formula

C21H42O2

SMILES

CCCCCCCCCCCCC(=O)OCC(CC)CCCC

Molecular Weight¹

326.56

• 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).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy 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	[466.99; 1111.39]	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			7.52600e+00
Coefficient B			1.94996e+00
Coefficient C			-1.02720e-03
Coefficient D			1.81100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	466.99	J/mol×K	273.00	Calculated Property
Cp,gas	576.83	J/mol×K	353.78	Calculated Property
Cp,gas	675.78	J/mol×K	434.56	Calculated Property
Cp,gas	764.40	J/mol×K	515.33	Calculated Property
Cp,gas	843.27	J/mol×K	596.11	Calculated Property
Cp,gas	912.96	J/mol×K	676.89	Calculated Property
Cp,gas	974.04	J/mol×K	757.67	Calculated Property
Cp,gas	1027.09	J/mol×K	838.44	Calculated Property
Cp,gas	1072.68	J/mol×K	919.22	Calculated Property
Cp,gas	1111.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0028578; 0.0000944]	Pa×s	[353.76; 636.53]	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			-1.35334e+01
Coefficient B			2.71534e+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.			353.76
Temperature range, max.			636.53
η	0.0028578	Pa×s	353.76	Calculated Property
η	0.0015280	Pa×s	385.18	Calculated Property
η	0.0008979	Pa×s	416.60	Calculated Property
η	0.0005685	Pa×s	448.02	Calculated Property
η	0.0003821	Pa×s	479.44	Calculated Property
η	0.0002697	Pa×s	510.85	Calculated Property
η	0.0001982	Pa×s	542.27	Calculated Property
η	0.0001507	Pa×s	573.69	Calculated Property
η	0.0001179	Pa×s	605.11	Calculated Property
η	0.0000944	Pa×s	636.53	Calculated Property

Similar Compounds

Find more compounds similar to 2-Ethylhexyl tridecanoate.

Sources

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

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