Chemical Properties of Adipic acid, di(2,3,6-trichlorophenyl) ester

InChI

InChI=1S/C18H12Cl6O4/c19-9-5-7-11(21)17(15(9)23)27-13(25)3-1-2-4-14(26)28-18-12(22)8-6-10(20)16(18)24/h5-8H,1-4H2

InChI Key

DGDGCCSZGSQLHP-UHFFFAOYSA-N

Formula

C18H12Cl6O4

SMILES

O=C(CCCCC(=O)Oc1c(Cl)ccc(Cl)c1Cl)Oc1c(Cl)ccc(Cl)c1Cl

Molecular Weight¹

505.00

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	62.04	kJ/mol	Joback Calculated Property
logPoct/wat	7.678		Crippen Calculated Property
McVol	305.280	ml/mol	McGowan Calculated Property
Inp	[3514.00; 3514.00]
Inp	3514.00		NIST
Inp	3514.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[401.22; 758.51]	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			1.32674e+02
Coefficient B			1.13020e+00
Coefficient C			-5.48760e-04
Coefficient D			4.44000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	401.22	J/mol×K	273.00	Calculated Property
Cp,gas	465.80	J/mol×K	353.78	Calculated Property
Cp,gas	523.83	J/mol×K	434.56	Calculated Property
Cp,gas	575.45	J/mol×K	515.33	Calculated Property
Cp,gas	620.80	J/mol×K	596.11	Calculated Property
Cp,gas	660.03	J/mol×K	676.89	Calculated Property
Cp,gas	693.28	J/mol×K	757.67	Calculated Property
Cp,gas	720.68	J/mol×K	838.44	Calculated Property
Cp,gas	742.38	J/mol×K	919.22	Calculated Property
Cp,gas	758.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001384; 0.0000400]	Pa×s	[684.76; 898.70]	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			-1.41014e+01
Coefficient B			3.57196e+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.			684.76
Temperature range, max.			898.70
η	0.0001384	Pa×s	684.76	Calculated Property
η	0.0001162	Pa×s	708.53	Calculated Property
η	0.0000987	Pa×s	732.30	Calculated Property
η	0.0000846	Pa×s	756.07	Calculated Property
η	0.0000733	Pa×s	779.85	Calculated Property
η	0.0000640	Pa×s	803.62	Calculated Property
η	0.0000563	Pa×s	827.39	Calculated Property
η	0.0000499	Pa×s	851.16	Calculated Property
η	0.0000446	Pa×s	874.93	Calculated Property
η	0.0000400	Pa×s	898.70	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, di(2,3,6-trichlorophenyl) 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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