Chemical Properties of Succinic acid, 2,4,6-trichlorophenyl 3-heptyl ester

InChI

InChI=1S/C17H21Cl3O4/c1-3-5-6-12(4-2)23-15(21)7-8-16(22)24-17-13(19)9-11(18)10-14(17)20/h9-10,12H,3-8H2,1-2H3

InChI Key

TVQFXYZVFMMZER-UHFFFAOYSA-N

Formula

C17H21Cl3O4

SMILES

CCCCC(CC)OC(=O)CCC(=O)Oc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

395.70

• 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°	50.47	kJ/mol	Joback Calculated Property
logPoct/wat	5.844		Crippen Calculated Property
McVol	278.230	ml/mol	McGowan Calculated Property
Inp	[2469.00; 2469.00]
Inp	2469.00		NIST
Inp	2469.00		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	[389.09; 810.30]	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			8.42360e+01
Coefficient B			1.27814e+00
Coefficient C			-6.06280e-04
Coefficient D			5.42000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	389.09	J/mol×K	273.00	Calculated Property
Cp,gas	462.93	J/mol×K	353.78	Calculated Property
Cp,gas	529.62	J/mol×K	434.56	Calculated Property
Cp,gas	589.31	J/mol×K	515.33	Calculated Property
Cp,gas	642.19	J/mol×K	596.11	Calculated Property
Cp,gas	688.42	J/mol×K	676.89	Calculated Property
Cp,gas	728.17	J/mol×K	757.67	Calculated Property
Cp,gas	761.62	J/mol×K	838.44	Calculated Property
Cp,gas	788.94	J/mol×K	919.22	Calculated Property
Cp,gas	810.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004950; 0.0000656]	Pa×s	[504.75; 749.64]	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			-1.37963e+01
Coefficient B			3.12202e+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.			504.75
Temperature range, max.			749.64
η	0.0004950	Pa×s	504.75	Calculated Property
η	0.0003607	Pa×s	531.96	Calculated Property
η	0.0002711	Pa×s	559.17	Calculated Property
η	0.0002092	Pa×s	586.38	Calculated Property
η	0.0001652	Pa×s	613.59	Calculated Property
η	0.0001331	Pa×s	640.80	Calculated Property
η	0.0001092	Pa×s	668.01	Calculated Property
η	0.0000909	Pa×s	695.22	Calculated Property
η	0.0000768	Pa×s	722.43	Calculated Property
η	0.0000656	Pa×s	749.64	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,4,6-trichlorophenyl 3-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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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