Chemical Properties of Carbonic acid, neopentyl 2-ethylhexyl ester

InChI

InChI=1S/C14H28O3/c1-6-8-9-12(7-2)10-16-13(15)17-11-14(3,4)5/h12H,6-11H2,1-5H3

InChI Key

LGERJXMQUXDYGA-UHFFFAOYSA-N

Formula

C14H28O3

SMILES

CCCCC(CC)COC(=O)OCC(C)(C)C

Molecular Weight¹

244.37

• 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	[332.44; 770.22]	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			1.49160e+01
Coefficient B			1.34760e+00
Coefficient C			-7.07200e-04
Coefficient D			1.14900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	332.44	J/mol×K	273.00	Calculated Property
Cp,gas	408.24	J/mol×K	353.78	Calculated Property
Cp,gas	476.41	J/mol×K	434.56	Calculated Property
Cp,gas	537.29	J/mol×K	515.33	Calculated Property
Cp,gas	591.27	J/mol×K	596.11	Calculated Property
Cp,gas	638.70	J/mol×K	676.89	Calculated Property
Cp,gas	679.95	J/mol×K	757.67	Calculated Property
Cp,gas	715.37	J/mol×K	838.44	Calculated Property
Cp,gas	745.34	J/mol×K	919.22	Calculated Property
Cp,gas	770.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0051203; 0.0001394]	Pa×s	[299.52; 540.90]	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			-1.33503e+01
Coefficient B			2.41885e+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.			299.52
Temperature range, max.			540.90
η	0.0051203	Pa×s	299.52	Calculated Property
η	0.0026366	Pa×s	326.34	Calculated Property
η	0.0015017	Pa×s	353.16	Calculated Property
η	0.0009260	Pa×s	379.98	Calculated Property
η	0.0006086	Pa×s	406.80	Calculated Property
η	0.0004213	Pa×s	433.62	Calculated Property
η	0.0003045	Pa×s	460.44	Calculated Property
η	0.0002280	Pa×s	487.26	Calculated Property
η	0.0001760	Pa×s	514.08	Calculated Property
η	0.0001394	Pa×s	540.90	Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, neopentyl 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.