Chemical Properties of Carbonic acid, neopentyl 3,4-dichlorophenyl ester

InChI

InChI=1S/C12H14Cl2O3/c1-12(2,3)7-16-11(15)17-8-4-5-9(13)10(14)6-8/h4-6H,7H2,1-3H3

InChI Key

HJNFYEFJFLFVLX-UHFFFAOYSA-N

Formula

C12H14Cl2O3

SMILES

CC(C)(C)COC(=O)Oc1ccc(Cl)c(Cl)c1

Molecular Weight¹

277.15

• 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

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	[264.98; 558.43]	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			3.88910e+01
Coefficient B			9.67360e-01
Coefficient C			-5.33120e-04
Coefficient D			8.53000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	264.98	J/mol×K	273.00	Calculated Property
Cp,gas	318.17	J/mol×K	353.78	Calculated Property
Cp,gas	365.59	J/mol×K	434.56	Calculated Property
Cp,gas	407.50	J/mol×K	515.33	Calculated Property
Cp,gas	444.17	J/mol×K	596.11	Calculated Property
Cp,gas	475.88	J/mol×K	676.89	Calculated Property
Cp,gas	502.89	J/mol×K	757.67	Calculated Property
Cp,gas	525.47	J/mol×K	838.44	Calculated Property
Cp,gas	543.89	J/mol×K	919.22	Calculated Property
Cp,gas	558.43	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010479; 0.0001235]	Pa×s	[403.28; 620.04]	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			-1.29765e+01
Coefficient B			2.46625e+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.			403.28
Temperature range, max.			620.04
η	0.0010479	Pa×s	403.28	Calculated Property
η	0.0007424	Pa×s	427.36	Calculated Property
η	0.0005457	Pa×s	451.45	Calculated Property
η	0.0004138	Pa×s	475.53	Calculated Property
η	0.0003223	Pa×s	499.62	Calculated Property
η	0.0002568	Pa×s	523.70	Calculated Property
η	0.0002088	Pa×s	547.79	Calculated Property
η	0.0001727	Pa×s	571.87	Calculated Property
η	0.0001451	Pa×s	595.95	Calculated Property
η	0.0001235	Pa×s	620.04	Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, neopentyl 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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