Chemical Properties of Cyclohexyl heptanoate

InChI

InChI=1S/C13H24O2/c1-2-3-4-8-11-13(14)15-12-9-6-5-7-10-12/h12H,2-11H2,1H3

InChI Key

WRFAGNPJDOSOAP-UHFFFAOYSA-N

Formula

C13H24O2

SMILES

CCCCCCC(=O)OC1CCCCC1

Molecular Weight¹

212.33

• 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).
• 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 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	[259.48; 683.19]	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			-4.91250e+01
Coefficient B			1.30612e+00
Coefficient C			-6.69800e-04
Coefficient D			9.60000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	259.48	J/mol×K	273.00	Calculated Property
Cp,gas	333.37	J/mol×K	353.78	Calculated Property
Cp,gas	399.85	J/mol×K	434.56	Calculated Property
Cp,gas	459.22	J/mol×K	515.33	Calculated Property
Cp,gas	511.79	J/mol×K	596.11	Calculated Property
Cp,gas	557.86	J/mol×K	676.89	Calculated Property
Cp,gas	597.73	J/mol×K	757.67	Calculated Property
Cp,gas	631.71	J/mol×K	838.44	Calculated Property
Cp,gas	660.09	J/mol×K	919.22	Calculated Property
Cp,gas	683.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0060984; 0.0002122]	Pa×s	[285.98; 538.41]	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			-1.22628e+01
Coefficient B			2.04851e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			285.98
Temperature range, max.			538.41
η	0.0060984	Pa×s	285.98	Calculated Property
η	0.0032163	Pa×s	314.03	Calculated Property
η	0.0018840	Pa×s	342.08	Calculated Property
η	0.0011967	Pa×s	370.12	Calculated Property
η	0.0008103	Pa×s	398.17	Calculated Property
η	0.0005776	Pa×s	426.22	Calculated Property
η	0.0004293	Pa×s	454.27	Calculated Property
η	0.0003303	Pa×s	482.32	Calculated Property
η	0.0002615	Pa×s	510.36	Calculated Property
η	0.0002122	Pa×s	538.41	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexyl heptanoate.

Sources

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

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