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

InChI

InChI=1S/C14H15Cl3O4/c1-8(2)7-20-11(18)5-6-12(19)21-14-10(16)4-3-9(15)13(14)17/h3-4,8H,5-7H2,1-2H3

InChI Key

DLAVXKZVZGRPFU-UHFFFAOYSA-N

Formula

C14H15Cl3O4

SMILES

CC(C)COC(=O)CCC(=O)Oc1c(Cl)ccc(Cl)c1Cl

Molecular Weight¹

353.62

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-776.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.70	kJ/mol	Joback Calculated Property
ΔvapH°	94.97	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	4.532		Crippen Calculated Property
McVol	235.960	ml/mol	McGowan Calculated Property
Pc	1781.84	kPa	Joback Calculated Property
Inp	[2255.00; 2255.00]
Inp	2255.00		NIST
Inp	2255.00		NIST
Tboil	604.43	K	Relay (1.0) Calculated Property
Tc	852.80	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, 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	[325.44; 655.52]	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			8.69630e+01
Coefficient B			9.93140e-01
Coefficient C			-4.43080e-04
Coefficient D			1.85000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	325.44	J/mol×K	273.00	Calculated Property
Cp,gas	383.68	J/mol×K	353.78	Calculated Property
Cp,gas	436.39	J/mol×K	434.56	Calculated Property
Cp,gas	483.62	J/mol×K	515.33	Calculated Property
Cp,gas	525.46	J/mol×K	596.11	Calculated Property
Cp,gas	561.94	J/mol×K	676.89	Calculated Property
Cp,gas	593.12	J/mol×K	757.67	Calculated Property
Cp,gas	619.08	J/mol×K	838.44	Calculated Property
Cp,gas	639.86	J/mol×K	919.22	Calculated Property
Cp,gas	655.52	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006876; 0.0000930]	Pa×s	[470.94; 704.81]	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			-1.33118e+01
Coefficient B			2.83954e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			470.94
Temperature range, max.			704.81
η	0.0006876	Pa×s	470.94	Calculated Property
η	0.0005017	Pa×s	496.93	Calculated Property
η	0.0003777	Pa×s	522.91	Calculated Property
η	0.0002921	Pa×s	548.90	Calculated Property
η	0.0002312	Pa×s	574.88	Calculated Property
η	0.0001867	Pa×s	600.87	Calculated Property
η	0.0001535	Pa×s	626.85	Calculated Property
η	0.0001282	Pa×s	652.84	Calculated Property
η	0.0001085	Pa×s	678.82	Calculated Property
η	0.0000930	Pa×s	704.81	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, isobutyl 2,3,6-trichlorophenyl ester.

Sources

• Cheméo Relay (1.0)
• 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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