Chemical Properties of Carbonic acid, 2,2,2-trichloroethyl neopentyl ester

InChI

InChI=1S/C8H13Cl3O3/c1-7(2,3)4-13-6(12)14-5-8(9,10)11/h4-5H2,1-3H3

InChI Key

DGZGZIOPBXWWDS-UHFFFAOYSA-N

Formula

C8H13Cl3O3

SMILES

CC(C)(C)COC(=O)OCC(Cl)(Cl)Cl

Molecular Weight¹

263.55

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	19.80	kJ/mol	Joback Calculated Property
log10WS	-3.98		Relay (1.0) Calculated Property
logPoct/wat	3.556		Crippen Calculated Property
McVol	173.610	ml/mol	McGowan Calculated Property
Inp	[1307.00; 1307.00]
Inp	1307.00		NIST
Inp	1307.00		NIST
Tboil	510.80	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[244.23; 486.41]	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			3.62520e+01
Coefficient B			9.17860e-01
Coefficient C			-6.10600e-04
Coefficient D			1.42900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	244.23	J/mol×K	273.00	Calculated Property
Cp,gas	290.88	J/mol×K	353.78	Calculated Property
Cp,gas	331.53	J/mol×K	434.56	Calculated Property
Cp,gas	366.66	J/mol×K	515.33	Calculated Property
Cp,gas	396.69	J/mol×K	596.11	Calculated Property
Cp,gas	422.10	J/mol×K	676.89	Calculated Property
Cp,gas	443.32	J/mol×K	757.67	Calculated Property
Cp,gas	460.81	J/mol×K	838.44	Calculated Property
Cp,gas	475.02	J/mol×K	919.22	Calculated Property
Cp,gas	486.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0030833; 0.0001761]	Pa×s	[339.08; 544.83]	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			-1.33628e+01
Coefficient B			2.57057e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			339.08
Temperature range, max.			544.83
η	0.0030833	Pa×s	339.08	Calculated Property
η	0.0019101	Pa×s	361.94	Calculated Property
η	0.0012526	Pa×s	384.80	Calculated Property
η	0.0008612	Pa×s	407.66	Calculated Property
η	0.0006162	Pa×s	430.53	Calculated Property
η	0.0004560	Pa×s	453.39	Calculated Property
η	0.0003473	Pa×s	476.25	Calculated Property
η	0.0002713	Pa×s	499.11	Calculated Property
η	0.0002165	Pa×s	521.97	Calculated Property
η	0.0001761	Pa×s	544.83	Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, 2,2,2-trichloroethyl 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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