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

InChI

InChI=1S/C11H10Cl2O3/c1-7-2-3-8(12)9(6-7)16-11(15)5-4-10(13)14/h2-3,6H,4-5H2,1H3

InChI Key

GCFIYXKATZKXNR-UHFFFAOYSA-N

Formula

C11H10Cl2O3

SMILES

Cc1ccc(Cl)c(OC(=O)CCC(=O)Cl)c1

Molecular Weight¹

261.10

• 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°	31.87	kJ/mol	Joback Calculated Property
logPoct/wat	3.099		Crippen Calculated Property
McVol	175.580	ml/mol	McGowan Calculated Property
Inp	[1818.00; 1818.00]
Inp	1818.00		NIST
Inp	1818.00		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	[230.75; 475.89]	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			4.61320e+01
Coefficient B			7.81720e-01
Coefficient C			-3.99220e-04
Coefficient D			4.72600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	230.75	J/mol×K	273.00	Calculated Property
Cp,gas	274.81	J/mol×K	353.78	Calculated Property
Cp,gas	314.32	J/mol×K	434.56	Calculated Property
Cp,gas	349.43	J/mol×K	515.33	Calculated Property
Cp,gas	380.27	J/mol×K	596.11	Calculated Property
Cp,gas	407.01	J/mol×K	676.89	Calculated Property
Cp,gas	429.79	J/mol×K	757.67	Calculated Property
Cp,gas	448.77	J/mol×K	838.44	Calculated Property
Cp,gas	464.09	J/mol×K	919.22	Calculated Property
Cp,gas	475.89	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012778; 0.0002074]	Pa×s	[417.29; 628.81]	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			-1.20681e+01
Coefficient B			2.25565e+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.			417.29
Temperature range, max.			628.81
η	0.0012778	Pa×s	417.29	Calculated Property
η	0.0009578	Pa×s	440.79	Calculated Property
η	0.0007393	Pa×s	464.30	Calculated Property
η	0.0005850	Pa×s	487.80	Calculated Property
η	0.0004730	Pa×s	511.30	Calculated Property
η	0.0003896	Pa×s	534.80	Calculated Property
η	0.0003262	Pa×s	558.31	Calculated Property
η	0.0002771	Pa×s	581.81	Calculated Property
η	0.0002384	Pa×s	605.31	Calculated Property
η	0.0002074	Pa×s	628.81	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, monochloride 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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