Chemical Properties of Carbonic acid, 2-chloroethyl neopentyl ester

InChI

InChI=1S/C8H15ClO3/c1-8(2,3)6-12-7(10)11-5-4-9/h4-6H2,1-3H3

InChI Key

NYIQAUKWXYWVSR-UHFFFAOYSA-N

Formula

C8H15ClO3

SMILES

CC(C)(C)COC(=O)OCCCl

Molecular Weight¹

194.66

• 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).
• 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, 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	[218.88; 468.40]	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			3.49430e+01
Coefficient B			7.78460e-01
Coefficient C			-3.98000e-04
Coefficient D			5.30000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	218.88	J/mol×K	273.00	Calculated Property
Cp,gas	262.88	J/mol×K	353.78	Calculated Property
Cp,gas	302.42	J/mol×K	434.56	Calculated Property
Cp,gas	337.67	J/mol×K	515.33	Calculated Property
Cp,gas	368.79	J/mol×K	596.11	Calculated Property
Cp,gas	395.96	J/mol×K	676.89	Calculated Property
Cp,gas	419.33	J/mol×K	757.67	Calculated Property
Cp,gas	439.09	J/mol×K	838.44	Calculated Property
Cp,gas	455.39	J/mol×K	919.22	Calculated Property
Cp,gas	468.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0046803; 0.0002247]	Pa×s	[276.82; 479.69]	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			-1.25438e+01
Coefficient B			1.98739e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			276.82
Temperature range, max.			479.69
η	0.0046803	Pa×s	276.82	Calculated Property
η	0.0027258	Pa×s	299.36	Calculated Property
η	0.0017124	Pa×s	321.90	Calculated Property
η	0.0011432	Pa×s	344.44	Calculated Property
η	0.0008021	Pa×s	366.98	Calculated Property
η	0.0005863	Pa×s	389.52	Calculated Property
η	0.0004435	Pa×s	412.07	Calculated Property
η	0.0003454	Pa×s	434.61	Calculated Property
η	0.0002757	Pa×s	457.15	Calculated Property
η	0.0002247	Pa×s	479.69	Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, 2-chloroethyl neopentyl 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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