Chemical Properties of Glutaric acid, monochloride, 2-heptyl ester

InChI

InChI=1S/C12H21ClO3/c1-3-4-5-7-10(2)16-12(15)9-6-8-11(13)14/h10H,3-9H2,1-2H3

InChI Key

KRYMKWMJARZPGE-UHFFFAOYSA-N

Formula

C12H21ClO3

SMILES

CCCCCC(C)OC(=O)CCCC(=O)Cl

Molecular Weight¹

248.75

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[290.40; 644.36]	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			3.59570e+01
Coefficient B			1.07374e+00
Coefficient C			-5.39300e-04
Coefficient D			7.39600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	290.40	J/mol×K	273.00	Calculated Property
Cp,gas	351.60	J/mol×K	353.78	Calculated Property
Cp,gas	406.79	J/mol×K	434.56	Calculated Property
Cp,gas	456.19	J/mol×K	515.33	Calculated Property
Cp,gas	500.05	J/mol×K	596.11	Calculated Property
Cp,gas	538.60	J/mol×K	676.89	Calculated Property
Cp,gas	572.07	J/mol×K	757.67	Calculated Property
Cp,gas	600.70	J/mol×K	838.44	Calculated Property
Cp,gas	624.72	J/mol×K	919.22	Calculated Property
Cp,gas	644.36	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0037744; 0.0002227]	Pa×s	[332.18; 564.29]	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			-1.24596e+01
Coefficient B			2.28541e+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.			332.18
Temperature range, max.			564.29
η	0.0037744	Pa×s	332.18	Calculated Property
η	0.0022992	Pa×s	357.97	Calculated Property
η	0.0014971	Pa×s	383.76	Calculated Property
η	0.0010289	Pa×s	409.55	Calculated Property
η	0.0007393	Pa×s	435.34	Calculated Property
η	0.0005512	Pa×s	461.13	Calculated Property
η	0.0004239	Pa×s	486.92	Calculated Property
η	0.0003348	Pa×s	512.71	Calculated Property
η	0.0002704	Pa×s	538.50	Calculated Property
η	0.0002227	Pa×s	564.29	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, monochloride, 2-heptyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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