Chemical Properties of Succinic acid, 2,3-dichlorophenyl 2,4,4-trimethylpentyl ester

InChI

InChI=1S/C18H24Cl2O4/c1-12(10-18(2,3)4)11-23-15(21)8-9-16(22)24-14-7-5-6-13(19)17(14)20/h5-7,12H,8-11H2,1-4H3

InChI Key

BGSKIJGIKVJWSC-UHFFFAOYSA-N

Formula

C18H24Cl2O4

SMILES

CC(COC(=O)CCC(=O)Oc1cccc(Cl)c1Cl)CC(C)(C)C

Molecular Weight¹

375.29

• 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°	41.83	kJ/mol	Joback Calculated Property
logPoct/wat	5.295		Crippen Calculated Property
McVol	280.080	ml/mol	McGowan Calculated Property
Inp	[2424.00; 2424.00]
Inp	2424.00		NIST
Inp	2424.00		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	[392.88; 858.12]	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			3.16640e+01
Coefficient B			1.55168e+00
Coefficient C			-8.79120e-04
Coefficient D			1.53900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	392.88	J/mol×K	273.00	Calculated Property
Cp,gas	477.40	J/mol×K	353.78	Calculated Property
Cp,gas	552.57	J/mol×K	434.56	Calculated Property
Cp,gas	618.89	J/mol×K	515.33	Calculated Property
Cp,gas	676.84	J/mol×K	596.11	Calculated Property
Cp,gas	726.91	J/mol×K	676.89	Calculated Property
Cp,gas	769.59	J/mol×K	757.67	Calculated Property
Cp,gas	805.36	J/mol×K	838.44	Calculated Property
Cp,gas	834.71	J/mol×K	919.22	Calculated Property
Cp,gas	858.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006283; 0.0000533]	Pa×s	[476.00; 734.51]	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			-1.43823e+01
Coefficient B			3.33666e+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.			476.00
Temperature range, max.			734.51
η	0.0006283	Pa×s	476.00	Calculated Property
η	0.0004216	Pa×s	504.72	Calculated Property
η	0.0002953	Pa×s	533.45	Calculated Property
η	0.0002145	Pa×s	562.17	Calculated Property
η	0.0001608	Pa×s	590.89	Calculated Property
η	0.0001237	Pa×s	619.62	Calculated Property
η	0.0000975	Pa×s	648.34	Calculated Property
η	0.0000784	Pa×s	677.06	Calculated Property
η	0.0000641	Pa×s	705.79	Calculated Property
η	0.0000533	Pa×s	734.51	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,3-dichlorophenyl 2,4,4-trimethylpentyl 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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