Chemical Properties of Carbonic acid, allyl 4-chlorophenyl ester

InChI

InChI=1S/C10H9ClO3/c1-2-7-13-10(12)14-9-5-3-8(11)4-6-9/h2-6H,1,7H2

InChI Key

VQLKYCRDMAFZRI-UHFFFAOYSA-N

Formula

C10H9ClO3

SMILES

C=CCOC(=O)Oc1ccc(Cl)cc1

Molecular Weight¹

212.63

• 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).
• IE : Ionization energy (eV).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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 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	[198.25; 420.04]	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			3.50010e+01
Coefficient B			6.84200e-01
Coefficient C			-3.22060e-04
Coefficient D			2.29000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	198.25	J/mol×K	273.00	Calculated Property
Cp,gas	237.76	J/mol×K	353.78	Calculated Property
Cp,gas	273.39	J/mol×K	434.56	Calculated Property
Cp,gas	305.20	J/mol×K	515.33	Calculated Property
Cp,gas	333.27	J/mol×K	596.11	Calculated Property
Cp,gas	357.67	J/mol×K	676.89	Calculated Property
Cp,gas	378.48	J/mol×K	757.67	Calculated Property
Cp,gas	395.76	J/mol×K	838.44	Calculated Property
Cp,gas	409.59	J/mol×K	919.22	Calculated Property
Cp,gas	420.04	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016140; 0.0001779]	Pa×s	[334.12; 554.81]	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			-1.19724e+01
Coefficient B			1.85217e+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.			334.12
Temperature range, max.			554.81
η	0.0016140	Pa×s	334.12	Calculated Property
η	0.0011049	Pa×s	358.64	Calculated Property
η	0.0007939	Pa×s	383.16	Calculated Property
η	0.0005936	Pa×s	407.68	Calculated Property
η	0.0004587	Pa×s	432.20	Calculated Property
η	0.0003645	Pa×s	456.72	Calculated Property
η	0.0002964	Pa×s	481.24	Calculated Property
η	0.0002460	Pa×s	505.76	Calculated Property
η	0.0002077	Pa×s	530.29	Calculated Property
η	0.0001779	Pa×s	554.81	Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, allyl 4-chlorophenyl 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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