Chemical Properties of Succinic acid, 4-chloro-3-methylphenyl 2-ethylbutyl ester

InChI

InChI=1S/C17H23ClO4/c1-4-13(5-2)11-21-16(19)8-9-17(20)22-14-6-7-15(18)12(3)10-14/h6-7,10,13H,4-5,8-9,11H2,1-3H3

InChI Key

FJBFHAUBEDEGED-UHFFFAOYSA-N

Formula

C17H23ClO4

SMILES

CCC(CC)COC(=O)CCC(=O)Oc1ccc(Cl)c(C)c1

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°	42.46	kJ/mol	Joback Calculated Property
logPoct/wat	4.313		Crippen Calculated Property
McVol	253.750	ml/mol	McGowan Calculated Property
Inp	[2335.00; 2335.00]
Inp	2335.00		NIST
Inp	2335.00		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	[359.73; 796.79]	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			4.41550e+01
Coefficient B			1.32406e+00
Coefficient C			-6.32520e-04
Coefficient D			6.11000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	359.73	J/mol×K	273.00	Calculated Property
Cp,gas	436.12	J/mol×K	353.78	Calculated Property
Cp,gas	505.10	J/mol×K	434.56	Calculated Property
Cp,gas	566.87	J/mol×K	515.33	Calculated Property
Cp,gas	621.62	J/mol×K	596.11	Calculated Property
Cp,gas	669.54	J/mol×K	676.89	Calculated Property
Cp,gas	710.82	J/mol×K	757.67	Calculated Property
Cp,gas	745.66	J/mol×K	838.44	Calculated Property
Cp,gas	774.26	J/mol×K	919.22	Calculated Property
Cp,gas	796.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009614; 0.0000847]	Pa×s	[432.39; 687.53]	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			-1.34936e+01
Coefficient B			2.83064e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			432.39
Temperature range, max.			687.53
η	0.0009614	Pa×s	432.39	Calculated Property
η	0.0006427	Pa×s	460.74	Calculated Property
η	0.0004501	Pa×s	489.09	Calculated Property
η	0.0003278	Pa×s	517.44	Calculated Property
η	0.0002467	Pa×s	545.79	Calculated Property
η	0.0001910	Pa×s	574.14	Calculated Property
η	0.0001514	Pa×s	602.48	Calculated Property
η	0.0001226	Pa×s	630.83	Calculated Property
η	0.0001011	Pa×s	659.18	Calculated Property
η	0.0000847	Pa×s	687.53	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 4-chloro-3-methylphenyl 2-ethylbutyl 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

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