Chemical Properties of Succinic acid, 2,4,6-trichlorophenyl but-3-en-1-yl ester

InChI

InChI=1S/C14H13Cl3O4/c1-2-3-6-20-12(18)4-5-13(19)21-14-10(16)7-9(15)8-11(14)17/h2,7-8H,1,3-6H2

InChI Key

PCOCZTIOEQNABH-UHFFFAOYSA-N

Formula

C14H13Cl3O4

SMILES

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

Molecular Weight¹

351.61

• 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°	44.94	kJ/mol	Joback Calculated Property
logPoct/wat	4.452		Crippen Calculated Property
McVol	231.660	ml/mol	McGowan Calculated Property
Inp	[2275.00; 2275.00]
Inp	2275.00		NIST
Inp	2275.00		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	[315.95; 626.47]	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			8.56540e+01
Coefficient B			9.67200e-01
Coefficient C			-4.62780e-04
Coefficient D			3.64000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	315.95	J/mol×K	273.00	Calculated Property
Cp,gas	371.52	J/mol×K	353.78	Calculated Property
Cp,gas	421.55	J/mol×K	434.56	Calculated Property
Cp,gas	466.17	J/mol×K	515.33	Calculated Property
Cp,gas	505.48	J/mol×K	596.11	Calculated Property
Cp,gas	539.59	J/mol×K	676.89	Calculated Property
Cp,gas	568.64	J/mol×K	757.67	Calculated Property
Cp,gas	592.72	J/mol×K	838.44	Calculated Property
Cp,gas	611.96	J/mol×K	919.22	Calculated Property
Cp,gas	626.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006146; 0.0001060]	Pa×s	[484.18; 702.72]	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			-1.30465e+01
Coefficient B			2.73656e+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.			484.18
Temperature range, max.			702.72
η	0.0006146	Pa×s	484.18	Calculated Property
η	0.0004692	Pa×s	508.46	Calculated Property
η	0.0003671	Pa×s	532.75	Calculated Property
η	0.0002935	Pa×s	557.03	Calculated Property
η	0.0002390	Pa×s	581.31	Calculated Property
η	0.0001979	Pa×s	605.59	Calculated Property
η	0.0001663	Pa×s	629.88	Calculated Property
η	0.0001415	Pa×s	654.16	Calculated Property
η	0.0001218	Pa×s	678.44	Calculated Property
η	0.0001060	Pa×s	702.72	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,4,6-trichlorophenyl but-3-en-1-yl 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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