Chemical Properties of (Z)-3-Hexen-1-ol, dichloroacetate

InChI

InChI=1S/C8H12Cl2O2/c1-2-3-4-5-6-12-8(11)7(9)10/h3-4,7H,2,5-6H2,1H3/b4-3-

InChI Key

RKUQPBWHNGASBI-ARJAWSKDSA-N

Formula

C8H12Cl2O2

SMILES

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

Molecular Weight¹

211.09

• 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	[204.02; 426.66]	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			3.09430e+01
Coefficient B			7.48520e-01
Coefficient C			-4.44600e-04
Coefficient D			9.18000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	204.02	J/mol×K	273.00	Calculated Property
Cp,gas	244.17	J/mol×K	353.78	Calculated Property
Cp,gas	279.79	J/mol×K	434.56	Calculated Property
Cp,gas	311.17	J/mol×K	515.33	Calculated Property
Cp,gas	338.60	J/mol×K	596.11	Calculated Property
Cp,gas	362.37	J/mol×K	676.89	Calculated Property
Cp,gas	382.77	J/mol×K	757.67	Calculated Property
Cp,gas	400.09	J/mol×K	838.44	Calculated Property
Cp,gas	414.63	J/mol×K	919.22	Calculated Property
Cp,gas	426.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0058107; 0.0002161]	Pa×s	[262.01; 500.45]	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			-1.20567e+01
Coefficient B			1.81014e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			262.01
Temperature range, max.			500.45
η	0.0058107	Pa×s	262.01	Calculated Property
η	0.0030811	Pa×s	288.50	Calculated Property
η	0.0018177	Pa×s	315.00	Calculated Property
η	0.0011639	Pa×s	341.49	Calculated Property
η	0.0007946	Pa×s	367.98	Calculated Property
η	0.0005711	Pa×s	394.48	Calculated Property
η	0.0004278	Pa×s	420.97	Calculated Property
η	0.0003317	Pa×s	447.46	Calculated Property
η	0.0002645	Pa×s	473.95	Calculated Property
η	0.0002161	Pa×s	500.45	Calculated Property

Similar Compounds

Find more compounds similar to (Z)-3-Hexen-1-ol, dichloroacetate.

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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