Chemical Properties of Succinic acid, 2,4-dichlorophenethyl isobutyl ester

InChI

InChI=1S/C16H20Cl2O4/c1-11(2)10-22-16(20)6-5-15(19)21-8-7-12-3-4-13(17)9-14(12)18/h3-4,9,11H,5-8,10H2,1-2H3

InChI Key

SFIOYBKDFMBGAK-UHFFFAOYSA-N

Formula

C16H20Cl2O4

SMILES

CC(C)COC(=O)CCC(=O)OCCc1ccc(Cl)cc1Cl

Molecular Weight¹

347.23

• 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	-817.63	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.07	kJ/mol	Joback Calculated Property
ΔvapH°	99.09	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	4.058		Crippen Calculated Property
McVol	251.900	ml/mol	McGowan Calculated Property
Pc	1588.54	kPa	Joback Calculated Property
Inp	[2334.00; 2334.00]
Inp	2334.00		NIST
Inp	2334.00		NIST
Tboil	632.34	K	Relay (1.0) Calculated Property
Tc	833.10	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	[351.92; 753.48]	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			5.79550e+01
Coefficient B			1.23584e+00
Coefficient C			-5.98520e-04
Coefficient D			5.82000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	351.92	J/mol×K	273.00	Calculated Property
Cp,gas	422.83	J/mol×K	353.78	Calculated Property
Cp,gas	486.75	J/mol×K	434.56	Calculated Property
Cp,gas	543.84	J/mol×K	515.33	Calculated Property
Cp,gas	594.30	J/mol×K	596.11	Calculated Property
Cp,gas	638.30	J/mol×K	676.89	Calculated Property
Cp,gas	676.04	J/mol×K	757.67	Calculated Property
Cp,gas	707.69	J/mol×K	838.44	Calculated Property
Cp,gas	733.44	J/mol×K	919.22	Calculated Property
Cp,gas	753.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008408; 0.0000842]	Pa×s	[451.04; 701.38]	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			-1.35280e+01
Coefficient B			2.90780e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			451.04
Temperature range, max.			701.38
η	0.0008408	Pa×s	451.04	Calculated Property
η	0.0005782	Pa×s	478.86	Calculated Property
η	0.0004143	Pa×s	506.67	Calculated Property
η	0.0003073	Pa×s	534.49	Calculated Property
η	0.0002348	Pa×s	562.30	Calculated Property
η	0.0001840	Pa×s	590.12	Calculated Property
η	0.0001474	Pa×s	617.93	Calculated Property
η	0.0001204	Pa×s	645.75	Calculated Property
η	0.0000999	Pa×s	673.56	Calculated Property
η	0.0000842	Pa×s	701.38	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,4-dichlorophenethyl isobutyl 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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