Chemical Properties of DECANOIC ACID, CYCLOHEXYL ESTER

InChI

InChI=1S/C16H30O2/c1-2-3-4-5-6-7-11-14-16(17)18-15-12-9-8-10-13-15/h15H,2-14H2,1H3

InChI Key

FNQCJNQUVQXXJN-UHFFFAOYSA-N

Formula

C16H30O2

SMILES

CCCCCCCCCC(=O)OC1CCCCC1

Molecular Weight¹

254.41

Other Names

• Cyclohexyl caprate

• 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	[323.12; 837.97]	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			-5.18520e+01
Coefficient B			1.59112e+00
Coefficient C			-8.33000e-04
Coefficient D			1.31700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	323.12	J/mol×K	273.00	Calculated Property
Cp,gas	412.63	J/mol×K	353.78	Calculated Property
Cp,gas	493.08	J/mol×K	434.56	Calculated Property
Cp,gas	564.91	J/mol×K	515.33	Calculated Property
Cp,gas	628.52	J/mol×K	596.11	Calculated Property
Cp,gas	684.34	J/mol×K	676.89	Calculated Property
Cp,gas	732.78	J/mol×K	757.67	Calculated Property
Cp,gas	774.25	J/mol×K	838.44	Calculated Property
Cp,gas	809.17	J/mol×K	919.22	Calculated Property
Cp,gas	837.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0045624; 0.0001711]	Pa×s	[319.79; 581.93]	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			-1.26790e+01
Coefficient B			2.33099e+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.			319.79
Temperature range, max.			581.93
η	0.0045624	Pa×s	319.79	Calculated Property
η	0.0024827	Pa×s	348.92	Calculated Property
η	0.0014839	Pa×s	378.04	Calculated Property
η	0.0009546	Pa×s	407.17	Calculated Property
η	0.0006514	Pa×s	436.30	Calculated Property
η	0.0004663	Pa×s	465.42	Calculated Property
η	0.0003472	Pa×s	494.55	Calculated Property
η	0.0002671	Pa×s	523.68	Calculated Property
η	0.0002113	Pa×s	552.81	Calculated Property
η	0.0001711	Pa×s	581.93	Calculated Property

Similar Compounds

Find more compounds similar to DECANOIC ACID, CYCLOHEXYL ESTER.

Sources

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

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