Chemical Properties of Succinic acid, 2,3-dichlorobenzyl isobutyl ester

InChI

InChI=1S/C15H18Cl2O4/c1-10(2)8-20-13(18)6-7-14(19)21-9-11-4-3-5-12(16)15(11)17/h3-5,10H,6-9H2,1-2H3

InChI Key

CGUOAMCTHMEDEJ-UHFFFAOYSA-N

Formula

C15H18Cl2O4

SMILES

CC(C)COC(=O)CCC(=O)OCc1cccc(Cl)c1Cl

Molecular Weight¹

333.21

• 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	-787.63	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.48	kJ/mol	Joback Calculated Property
ΔvapH°	93.45	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	4.016		Crippen Calculated Property
McVol	237.810	ml/mol	McGowan Calculated Property
Pc	1717.45	kPa	Joback Calculated Property
Inp	[2278.00; 2278.00]
Inp	2278.00		NIST
Inp	2278.00		NIST
Tboil	621.62	K	Relay (1.0) Calculated Property
Tc	836.78	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	[330.70; 701.88]	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			5.88640e+01
Coefficient B			1.14084e+00
Coefficient C			-5.44120e-04
Coefficient D			4.63000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	330.70	J/mol×K	273.00	Calculated Property
Cp,gas	396.42	J/mol×K	353.78	Calculated Property
Cp,gas	455.67	J/mol×K	434.56	Calculated Property
Cp,gas	508.61	J/mol×K	515.33	Calculated Property
Cp,gas	555.39	J/mol×K	596.11	Calculated Property
Cp,gas	596.14	J/mol×K	676.89	Calculated Property
Cp,gas	631.02	J/mol×K	757.67	Calculated Property
Cp,gas	660.17	J/mol×K	838.44	Calculated Property
Cp,gas	683.75	J/mol×K	919.22	Calculated Property
Cp,gas	701.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009375; 0.0000940]	Pa×s	[439.77; 686.66]	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			-1.33702e+01
Coefficient B			2.81364e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			439.77
Temperature range, max.			686.66
η	0.0009375	Pa×s	439.77	Calculated Property
η	0.0006439	Pa×s	467.20	Calculated Property
η	0.0004611	Pa×s	494.63	Calculated Property
η	0.0003420	Pa×s	522.07	Calculated Property
η	0.0002613	Pa×s	549.50	Calculated Property
η	0.0002048	Pa×s	576.93	Calculated Property
η	0.0001642	Pa×s	604.36	Calculated Property
η	0.0001341	Pa×s	631.80	Calculated Property
η	0.0001114	Pa×s	659.23	Calculated Property
η	0.0000940	Pa×s	686.66	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,3-dichlorobenzyl 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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