Chemical Properties of Trichloroacetic acid, 2,2-dimethylpropyl ester (CAS 57392-56-0)

InChI

InChI=1S/C7H11Cl3O2/c1-6(2,3)4-12-5(11)7(8,9)10/h4H2,1-3H3

InChI Key

WCORDUWUJLFFJQ-UHFFFAOYSA-N

Formula

C7H11Cl3O2

SMILES

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

Molecular Weight¹

233.52

CAS

57392-56-0

Other Names

• Trichloracetic acid, neopentyl ester

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• 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, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[319.43; 377.03]	J/mol×K	[523.81; 738.77]
Cp,gas	319.43	J/mol×K	523.81	Joback Calculated Property
Cp,gas	331.14	J/mol×K	559.64	Joback Calculated Property
Cp,gas	341.93	J/mol×K	595.46	Joback Calculated Property
Cp,gas	351.87	J/mol×K	631.29	Joback Calculated Property
Cp,gas	361.00	J/mol×K	667.12	Joback Calculated Property
Cp,gas	369.37	J/mol×K	702.95	Joback Calculated Property
Cp,gas	377.03	J/mol×K	738.77	Joback Calculated Property
η	[0.0002239; 0.0055481]	Pa×s	[305.58; 523.81]
η	0.0055481	Pa×s	305.58	Joback Calculated Property
η	0.0024448	Pa×s	341.95	Joback Calculated Property
η	0.0012612	Pa×s	378.32	Joback Calculated Property
η	0.0007307	Pa×s	414.69	Joback Calculated Property
η	0.0004623	Pa×s	451.07	Joback Calculated Property
η	0.0003132	Pa×s	487.44	Joback Calculated Property
η	0.0002239	Pa×s	523.81	Joback Calculated Property
ΔvapH	57.70	kJ/mol	425.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[347.10; 689.50]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.04042e+01
Coefficient B			-3.51144e+03
Temperature range, min.			347.10
Temperature range, max.			689.50
Pvap	1.33	kPa	347.10	Calculated Property
Pvap	3.62	kPa	385.14	Calculated Property
Pvap	8.22	kPa	423.19	Calculated Property
Pvap	16.30	kPa	461.23	Calculated Property
Pvap	29.11	kPa	499.28	Calculated Property
Pvap	47.90	kPa	537.32	Calculated Property
Pvap	73.79	kPa	575.37	Calculated Property
Pvap	107.74	kPa	613.41	Calculated Property
Pvap	150.52	kPa	651.46	Calculated Property
Pvap	202.65	kPa	689.50	Calculated Property

Similar Compounds

Find more compounds similar to Trichloroacetic acid, 2,2-dimethylpropyl 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
• The Yaws Handbook of Vapor Pressure

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