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

InChI

InChI=1S/C21H15Cl3O4/c22-16-10-17(23)21(18(24)11-16)28-20(26)8-7-19(25)27-12-13-5-6-14-3-1-2-4-15(14)9-13/h1-6,9-11H,7-8,12H2

InChI Key

HCBQACBFVMQBOE-UHFFFAOYSA-N

Formula

C21H15Cl3O4

SMILES

O=C(CCC(=O)Oc1c(Cl)cc(Cl)cc1Cl)OCc1ccc2ccccc2c1

Molecular Weight¹

437.71

• 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°	55.02	kJ/mol	Joback Calculated Property
logPoct/wat	6.229		Crippen Calculated Property
McVol	291.370	ml/mol	McGowan Calculated Property
Inp	[3407.00; 3407.00]
Inp	3407.00		NIST
Inp	3407.00		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	[378.55; 803.77]	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			3.12330e+01
Coefficient B			1.51010e+00
Coefficient C			-9.21560e-04
Coefficient D			1.84000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	378.55	J/mol×K	273.00	Calculated Property
Cp,gas	458.28	J/mol×K	353.78	Calculated Property
Cp,gas	528.53	J/mol×K	434.56	Calculated Property
Cp,gas	589.88	J/mol×K	515.33	Calculated Property
Cp,gas	642.92	J/mol×K	596.11	Calculated Property
Cp,gas	688.23	J/mol×K	676.89	Calculated Property
Cp,gas	726.39	J/mol×K	757.67	Calculated Property
Cp,gas	757.97	J/mol×K	838.44	Calculated Property
Cp,gas	783.58	J/mol×K	919.22	Calculated Property
Cp,gas	803.77	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003086; 0.0000804]	Pa×s	[636.47; 874.43]	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			-1.30255e+01
Coefficient B			3.14544e+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.			636.47
Temperature range, max.			874.43
η	0.0003086	Pa×s	636.47	Calculated Property
η	0.0002534	Pa×s	662.91	Calculated Property
η	0.0002112	Pa×s	689.35	Calculated Property
η	0.0001785	Pa×s	715.79	Calculated Property
η	0.0001526	Pa×s	742.23	Calculated Property
η	0.0001319	Pa×s	768.67	Calculated Property
η	0.0001151	Pa×s	795.11	Calculated Property
η	0.0001014	Pa×s	821.55	Calculated Property
η	0.0000900	Pa×s	847.99	Calculated Property
η	0.0000804	Pa×s	874.43	Calculated Property

Similar Compounds

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