Chemical Properties of Hexanoic acid, 2-ethylhexyl ester (CAS 16397-75-4)

InChI

InChI=1S/C14H28O2/c1-4-7-9-11-14(15)16-12-13(6-3)10-8-5-2/h13H,4-12H2,1-3H3

InChI Key

QRNFTMKPBPCPJO-UHFFFAOYSA-N

Formula

C14H28O2

SMILES

CCCCCC(=O)OCC(CC)CCCC

Molecular Weight¹

228.37

CAS

16397-75-4

Other Names

• 2-Ethylhexyl caproate
• 2-ethylhexyl hexanoate

• 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	[318.50; 750.25]	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			1.38890e+01
Coefficient B			1.28496e+00
Coefficient C			-6.46400e-04
Coefficient D			9.78000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	318.50	J/mol×K	273.00	Calculated Property
Cp,gas	391.91	J/mol×K	353.78	Calculated Property
Cp,gas	458.24	J/mol×K	434.56	Calculated Property
Cp,gas	517.79	J/mol×K	515.33	Calculated Property
Cp,gas	570.89	J/mol×K	596.11	Calculated Property
Cp,gas	617.83	J/mol×K	676.89	Calculated Property
Cp,gas	658.93	J/mol×K	757.67	Calculated Property
Cp,gas	694.49	J/mol×K	838.44	Calculated Property
Cp,gas	724.83	J/mol×K	919.22	Calculated Property
Cp,gas	750.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0066223; 0.0001917]	Pa×s	[274.87; 522.11]	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			-1.24980e+01
Coefficient B			2.05622e+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.			274.87
Temperature range, max.			522.11
η	0.0066223	Pa×s	274.87	Calculated Property
η	0.0033560	Pa×s	302.34	Calculated Property
η	0.0019046	Pa×s	329.81	Calculated Property
η	0.0011793	Pa×s	357.28	Calculated Property
η	0.0007819	Pa×s	384.75	Calculated Property
η	0.0005476	Pa×s	412.22	Calculated Property
η	0.0004010	Pa×s	439.69	Calculated Property
η	0.0003046	Pa×s	467.17	Calculated Property
η	0.0002385	Pa×s	494.64	Calculated Property
η	0.0001917	Pa×s	522.11	Calculated Property

Similar Compounds

Find more compounds similar to Hexanoic acid, 2-ethylhexyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.