Chemical Properties of 4-Penten-1-ol, trichloroacetate

InChI

InChI=1S/C7H9Cl3O2/c1-2-3-4-5-12-6(11)7(8,9)10/h2H,1,3-5H2

InChI Key

WMVZSMAZWDFZPH-UHFFFAOYSA-N

Formula

C7H9Cl3O2

SMILES

C=CCCCOC(=O)C(Cl)(Cl)Cl

Molecular Weight¹

231.50

• 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	[199.26; 386.34]	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			3.31430e+01
Coefficient B			7.40200e-01
Coefficient C			-5.18300e-04
Coefficient D			1.31300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	199.26	J/mol×K	273.00	Calculated Property
Cp,gas	235.95	J/mol×K	353.78	Calculated Property
Cp,gas	267.70	J/mol×K	434.56	Calculated Property
Cp,gas	294.92	J/mol×K	515.33	Calculated Property
Cp,gas	318.02	J/mol×K	596.11	Calculated Property
Cp,gas	337.42	J/mol×K	676.89	Calculated Property
Cp,gas	353.54	J/mol×K	757.67	Calculated Property
Cp,gas	366.79	J/mol×K	838.44	Calculated Property
Cp,gas	377.59	J/mol×K	919.22	Calculated Property
Cp,gas	386.34	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0043422; 0.0002672]	Pa×s	[301.40; 511.02]	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			-1.22364e+01
Coefficient B			2.04862e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			301.40
Temperature range, max.			511.02
η	0.0043422	Pa×s	301.40	Calculated Property
η	0.0026666	Pa×s	324.69	Calculated Property
η	0.0017480	Pa×s	347.98	Calculated Property
η	0.0012082	Pa×s	371.27	Calculated Property
η	0.0008724	Pa×s	394.57	Calculated Property
η	0.0006531	Pa×s	417.86	Calculated Property
η	0.0005042	Pa×s	441.15	Calculated Property
η	0.0003994	Pa×s	464.44	Calculated Property
η	0.0003236	Pa×s	487.73	Calculated Property
η	0.0002672	Pa×s	511.02	Calculated Property

Similar Compounds

Find more compounds similar to 4-Penten-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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