Chemical Properties of Adipic acid, 10-chlorodecyl tridecyl ester

InChI

InChI=1S/C29H55ClO4/c1-2-3-4-5-6-7-8-10-13-16-21-26-33-28(31)23-18-19-24-29(32)34-27-22-17-14-11-9-12-15-20-25-30/h2-27H2,1H3

InChI Key

KQYRXRDTZFRSKQ-UHFFFAOYSA-N

Formula

C29H55ClO4

SMILES

CCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCl

Molecular Weight¹

503.21

• 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	[666.76; 1539.96]	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			4.02360e+01
Coefficient B			2.65602e+00
Coefficient C			-1.38500e-03
Coefficient D			2.28700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	666.76	J/mol×K	273.00	Calculated Property
Cp,gas	816.66	J/mol×K	353.78	Calculated Property
Cp,gas	951.65	J/mol×K	434.56	Calculated Property
Cp,gas	1072.46	J/mol×K	515.33	Calculated Property
Cp,gas	1179.81	J/mol×K	596.11	Calculated Property
Cp,gas	1274.42	J/mol×K	676.89	Calculated Property
Cp,gas	1357.01	J/mol×K	757.67	Calculated Property
Cp,gas	1428.32	J/mol×K	838.44	Calculated Property
Cp,gas	1489.06	J/mol×K	919.22	Calculated Property
Cp,gas	1539.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003021; 0.0000146]	Pa×s	[531.17; 889.88]	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			-1.56200e+01
Coefficient B			3.99184e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			531.17
Temperature range, max.			889.88
η	0.0003021	Pa×s	531.17	Calculated Property
η	0.0001788	Pa×s	571.03	Calculated Property
η	0.0001133	Pa×s	610.88	Calculated Property
η	0.0000759	Pa×s	650.74	Calculated Property
η	0.0000533	Pa×s	690.60	Calculated Property
η	0.0000389	Pa×s	730.46	Calculated Property
η	0.0000293	Pa×s	770.31	Calculated Property
η	0.0000227	Pa×s	810.17	Calculated Property
η	0.0000180	Pa×s	850.03	Calculated Property
η	0.0000146	Pa×s	889.88	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, 10-chlorodecyl tridecyl ester.

Sources

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

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