Chemical Properties of Succinic acid, 2-methylpent-3-yl 4-chlorobenzyl ester

InChI

InChI=1S/C17H23ClO4/c1-4-15(12(2)3)22-17(20)10-9-16(19)21-11-13-5-7-14(18)8-6-13/h5-8,12,15H,4,9-11H2,1-3H3

InChI Key

ZLYVMZKTDAFIGU-UHFFFAOYSA-N

Formula

C17H23ClO4

SMILES

CCC(OC(=O)CCC(=O)OCc1ccc(Cl)cc1)C(C)C

Molecular Weight¹

326.81

• 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°	39.33	kJ/mol	Joback Calculated Property
logPoct/wat	4.141		Crippen Calculated Property
McVol	253.750	ml/mol	McGowan Calculated Property
Inp	[2287.00; 2287.00]
Inp	2287.00		NIST
Inp	2287.00		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	[356.86; 800.37]	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			2.81740e+01
Coefficient B			1.38946e+00
Coefficient C			-7.02760e-04
Coefficient D			8.55000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	356.86	J/mol×K	273.00	Calculated Property
Cp,gas	435.56	J/mol×K	353.78	Calculated Property
Cp,gas	506.28	J/mol×K	434.56	Calculated Property
Cp,gas	569.28	J/mol×K	515.33	Calculated Property
Cp,gas	624.83	J/mol×K	596.11	Calculated Property
Cp,gas	673.21	J/mol×K	676.89	Calculated Property
Cp,gas	714.68	J/mol×K	757.67	Calculated Property
Cp,gas	749.52	J/mol×K	838.44	Calculated Property
Cp,gas	777.99	J/mol×K	919.22	Calculated Property
Cp,gas	800.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014883; 0.0000779]	Pa×s	[404.87; 685.12]	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			-1.37216e+01
Coefficient B			2.91972e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			404.87
Temperature range, max.			685.12
η	0.0014883	Pa×s	404.87	Calculated Property
η	0.0008893	Pa×s	436.01	Calculated Property
η	0.0005691	Pa×s	467.15	Calculated Property
η	0.0003851	Pa×s	498.29	Calculated Property
η	0.0002728	Pa×s	529.42	Calculated Property
η	0.0002008	Pa×s	560.56	Calculated Property
η	0.0001527	Pa×s	591.70	Calculated Property
η	0.0001193	Pa×s	622.84	Calculated Property
η	0.0000954	Pa×s	653.98	Calculated Property
η	0.0000779	Pa×s	685.12	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-methylpent-3-yl 4-chlorobenzyl 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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