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

InChI

InChI=1S/C16H21ClO4/c1-4-11(2)10-20-15(18)7-8-16(19)21-13-5-6-14(17)12(3)9-13/h5-6,9,11H,4,7-8,10H2,1-3H3

InChI Key

DRCDLQHROBEQOF-UHFFFAOYSA-N

Formula

C16H21ClO4

SMILES

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

Molecular Weight¹

312.79

• 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°	39.87	kJ/mol	Joback Calculated Property
logPoct/wat	3.923		Crippen Calculated Property
McVol	239.660	ml/mol	McGowan Calculated Property
Inp	[2238.00; 2238.00]
Inp	2238.00		NIST
Inp	2238.00		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	[338.51; 745.20]	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			4.50640e+01
Coefficient B			1.22906e+00
Coefficient C			-5.78120e-04
Coefficient D			4.92000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	338.51	J/mol×K	273.00	Calculated Property
Cp,gas	409.70	J/mol×K	353.78	Calculated Property
Cp,gas	474.02	J/mol×K	434.56	Calculated Property
Cp,gas	531.64	J/mol×K	515.33	Calculated Property
Cp,gas	582.71	J/mol×K	596.11	Calculated Property
Cp,gas	627.38	J/mol×K	676.89	Calculated Property
Cp,gas	665.81	J/mol×K	757.67	Calculated Property
Cp,gas	698.15	J/mol×K	838.44	Calculated Property
Cp,gas	724.56	J/mol×K	919.22	Calculated Property
Cp,gas	745.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010697; 0.0000942]	Pa×s	[421.12; 672.61]	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			-1.33385e+01
Coefficient B			2.73648e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			421.12
Temperature range, max.			672.61
η	0.0010697	Pa×s	421.12	Calculated Property
η	0.0007139	Pa×s	449.06	Calculated Property
η	0.0004996	Pa×s	477.01	Calculated Property
η	0.0003637	Pa×s	504.95	Calculated Property
η	0.0002737	Pa×s	532.89	Calculated Property
η	0.0002120	Pa×s	560.83	Calculated Property
η	0.0001681	Pa×s	588.78	Calculated Property
η	0.0001362	Pa×s	616.72	Calculated Property
η	0.0001124	Pa×s	644.66	Calculated Property
η	0.0000942	Pa×s	672.61	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 4-chloro-3-methylphenyl 2-methylbutyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.