Chemical Properties of Carbonic acid, 2-chloroethyl 3,5-dimethylphenyl ester

InChI

InChI=1S/C11H13ClO3/c1-8-5-9(2)7-10(6-8)15-11(13)14-4-3-12/h5-7H,3-4H2,1-2H3

InChI Key

AJEAMAFOXFXJED-UHFFFAOYSA-N

Formula

C11H13ClO3

SMILES

Cc1cc(C)cc(OC(=O)OCCCl)c1

Molecular Weight¹

228.67

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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	[231.82; 497.10]	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			5.13820e+01
Coefficient B			7.39740e-01
Coefficient C			-2.86520e-04
Coefficient D			-7.50000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	231.82	J/mol×K	273.00	Calculated Property
Cp,gas	276.89	J/mol×K	353.78	Calculated Property
Cp,gas	318.12	J/mol×K	434.56	Calculated Property
Cp,gas	355.48	J/mol×K	515.33	Calculated Property
Cp,gas	388.95	J/mol×K	596.11	Calculated Property
Cp,gas	418.50	J/mol×K	676.89	Calculated Property
Cp,gas	444.12	J/mol×K	757.67	Calculated Property
Cp,gas	465.77	J/mol×K	838.44	Calculated Property
Cp,gas	483.44	J/mol×K	919.22	Calculated Property
Cp,gas	497.10	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012413; 0.0001644]	Pa×s	[359.67; 571.73]	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			-1.21417e+01
Coefficient B			1.96023e+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.			359.67
Temperature range, max.			571.73
η	0.0012413	Pa×s	359.67	Calculated Property
η	0.0008879	Pa×s	383.23	Calculated Property
η	0.0006602	Pa×s	406.79	Calculated Property
η	0.0005071	Pa×s	430.36	Calculated Property
η	0.0004003	Pa×s	453.92	Calculated Property
η	0.0003235	Pa×s	477.48	Calculated Property
η	0.0002667	Pa×s	501.04	Calculated Property
η	0.0002237	Pa×s	524.60	Calculated Property
η	0.0001905	Pa×s	548.17	Calculated Property
η	0.0001644	Pa×s	571.73	Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, 2-chloroethyl 3,5-dimethylphenyl 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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