Chemical Properties of 3-Buten-1-ol, trichloroacetate

InChI

InChI=1S/C6H7Cl3O2/c1-2-3-4-11-5(10)6(7,8)9/h2H,1,3-4H2

InChI Key

JNUGOAAJACVGAL-UHFFFAOYSA-N

Formula

C6H7Cl3O2

SMILES

C=CCCOC(=O)C(Cl)(Cl)Cl

Molecular Weight¹

217.48

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[178.05; 334.75]	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			3.40520e+01
Coefficient B			6.45200e-01
Coefficient C			-4.63900e-04
Coefficient D			1.19400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	178.05	J/mol×K	273.00	Calculated Property
Cp,gas	209.54	J/mol×K	353.78	Calculated Property
Cp,gas	236.62	J/mol×K	434.56	Calculated Property
Cp,gas	259.69	J/mol×K	515.33	Calculated Property
Cp,gas	279.11	J/mol×K	596.11	Calculated Property
Cp,gas	295.26	J/mol×K	676.89	Calculated Property
Cp,gas	308.53	J/mol×K	757.67	Calculated Property
Cp,gas	319.28	J/mol×K	838.44	Calculated Property
Cp,gas	327.89	J/mol×K	919.22	Calculated Property
Cp,gas	334.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0046849; 0.0002833]	Pa×s	[290.13; 497.21]	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			-1.20999e+01
Coefficient B			1.95446e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			290.13
Temperature range, max.			497.21
η	0.0046849	Pa×s	290.13	Calculated Property
η	0.0028559	Pa×s	313.14	Calculated Property
η	0.0018630	Pa×s	336.15	Calculated Property
η	0.0012836	Pa×s	359.16	Calculated Property
η	0.0009250	Pa×s	382.16	Calculated Property
η	0.0006919	Pa×s	405.17	Calculated Property
η	0.0005339	Pa×s	428.18	Calculated Property
η	0.0004230	Pa×s	451.19	Calculated Property
η	0.0003428	Pa×s	474.20	Calculated Property
η	0.0002833	Pa×s	497.21	Calculated Property

Similar Compounds

Find more compounds similar to 3-Buten-1-ol, trichloroacetate.

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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