Chemical Properties of Carbonic acid, 2-chloroethyl 3,4-dichlorophenyl ester

InChI

InChI=1S/C9H7Cl3O3/c10-3-4-14-9(13)15-6-1-2-7(11)8(12)5-6/h1-2,5H,3-4H2

InChI Key

YLLLCCMOLMFOGA-UHFFFAOYSA-N

Formula

C9H7Cl3O3

SMILES

O=C(OCCCl)Oc1ccc(Cl)c(Cl)c1

Molecular Weight¹

269.51

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	30.48	kJ/mol	Joback Calculated Property
log10WS	-4.60		Relay (1.0) Calculated Property
logPoct/wat	3.748		Crippen Calculated Property
McVol	163.940	ml/mol	McGowan Calculated Property
Inp	[1852.00; 1852.00]
Inp	1852.00		NIST
Inp	1852.00		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 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	[216.21; 410.46]	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			7.89820e+01
Coefficient B			5.63300e-01
Coefficient C			-2.18520e-04
Coefficient D			-1.33000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	216.21	J/mol×K	273.00	Calculated Property
Cp,gas	250.33	J/mol×K	353.78	Calculated Property
Cp,gas	281.41	J/mol×K	434.56	Calculated Property
Cp,gas	309.42	J/mol×K	515.33	Calculated Property
Cp,gas	334.30	J/mol×K	596.11	Calculated Property
Cp,gas	356.03	J/mol×K	676.89	Calculated Property
Cp,gas	374.55	J/mol×K	757.67	Calculated Property
Cp,gas	389.82	J/mol×K	838.44	Calculated Property
Cp,gas	401.81	J/mol×K	919.22	Calculated Property
Cp,gas	410.46	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010694; 0.0001738]	Pa×s	[396.97; 602.42]	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			-1.21674e+01
Coefficient B			2.11455e+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.			396.97
Temperature range, max.			602.42
η	0.0010694	Pa×s	396.97	Calculated Property
η	0.0008005	Pa×s	419.80	Calculated Property
η	0.0006173	Pa×s	442.63	Calculated Property
η	0.0004884	Pa×s	465.45	Calculated Property
η	0.0003949	Pa×s	488.28	Calculated Property
η	0.0003255	Pa×s	511.11	Calculated Property
η	0.0002727	Pa×s	533.94	Calculated Property
η	0.0002318	Pa×s	556.77	Calculated Property
η	0.0001996	Pa×s	579.60	Calculated Property
η	0.0001738	Pa×s	602.42	Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, 2-chloroethyl 3,4-dichlorophenyl 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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