Chemical Properties of Succinic acid, butyl 2-chloro-5-methylphenyl ester

InChI

InChI=1S/C15H19ClO4/c1-3-4-9-19-14(17)7-8-15(18)20-13-10-11(2)5-6-12(13)16/h5-6,10H,3-4,7-9H2,1-2H3

InChI Key

DCMFJQYDFWIUCT-UHFFFAOYSA-N

Formula

C15H19ClO4

SMILES

CCCCOC(=O)CCC(=O)Oc1cc(C)ccc1Cl

Molecular Weight¹

298.76

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[317.61; 693.07]	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			4.76550e+01
Coefficient B			1.12814e+00
Coefficient C			-5.20520e-04
Coefficient D			3.78000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	317.61	J/mol×K	273.00	Calculated Property
Cp,gas	383.29	J/mol×K	353.78	Calculated Property
Cp,gas	442.70	J/mol×K	434.56	Calculated Property
Cp,gas	495.96	J/mol×K	515.33	Calculated Property
Cp,gas	543.19	J/mol×K	596.11	Calculated Property
Cp,gas	584.51	J/mol×K	676.89	Calculated Property
Cp,gas	620.04	J/mol×K	757.67	Calculated Property
Cp,gas	649.90	J/mol×K	838.44	Calculated Property
Cp,gas	674.20	J/mol×K	919.22	Calculated Property
Cp,gas	693.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009869; 0.0001137]	Pa×s	[424.85; 656.11]	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			-1.30513e+01
Coefficient B			2.60450e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			424.85
Temperature range, max.			656.11
η	0.0009869	Pa×s	424.85	Calculated Property
η	0.0006957	Pa×s	450.55	Calculated Property
η	0.0005093	Pa×s	476.24	Calculated Property
η	0.0003849	Pa×s	501.94	Calculated Property
η	0.0002990	Pa×s	527.63	Calculated Property
η	0.0002377	Pa×s	553.33	Calculated Property
η	0.0001929	Pa×s	579.03	Calculated Property
η	0.0001594	Pa×s	604.72	Calculated Property
η	0.0001337	Pa×s	630.42	Calculated Property
η	0.0001137	Pa×s	656.11	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, butyl 2-chloro-5-methylphenyl 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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