Chemical Properties of 4-Penten-2-ol, chloroacetate

InChI

InChI=1S/C7H11ClO2/c1-3-4-6(2)10-7(9)5-8/h3,6H,1,4-5H2,2H3

InChI Key

MLUZZPKUPKESMI-UHFFFAOYSA-N

Formula

C7H11ClO2

SMILES

C=CCC(C)OC(=O)CCl

Molecular Weight¹

162.62

• 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).
• 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_p : 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, Enthalpy of formation at standard conditions, 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	[173.60; 368.87]	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			3.01520e+01
Coefficient B			6.06720e-01
Coefficient C			-3.08900e-04
Coefficient D			4.09000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	173.60	J/mol×K	273.00	Calculated Property
Cp,gas	207.95	J/mol×K	353.78	Calculated Property
Cp,gas	238.83	J/mol×K	434.56	Calculated Property
Cp,gas	266.38	J/mol×K	515.33	Calculated Property
Cp,gas	290.72	J/mol×K	596.11	Calculated Property
Cp,gas	311.99	J/mol×K	676.89	Calculated Property
Cp,gas	330.31	J/mol×K	757.67	Calculated Property
Cp,gas	345.81	J/mol×K	838.44	Calculated Property
Cp,gas	358.62	J/mol×K	919.22	Calculated Property
Cp,gas	368.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0074853; 0.0002639]	Pa×s	[224.14; 447.19]	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			-1.16016e+01
Coefficient B			1.50326e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			224.14
Temperature range, max.			447.19
η	0.0074853	Pa×s	224.14	Calculated Property
η	0.0038389	Pa×s	248.92	Calculated Property
η	0.0022219	Pa×s	273.71	Calculated Property
η	0.0014083	Pa×s	298.49	Calculated Property
η	0.0009572	Pa×s	323.27	Calculated Property
η	0.0006874	Pa×s	348.06	Calculated Property
η	0.0005158	Pa×s	372.84	Calculated Property
η	0.0004012	Pa×s	397.62	Calculated Property
η	0.0003214	Pa×s	422.41	Calculated Property
η	0.0002639	Pa×s	447.19	Calculated Property

Similar Compounds

Find more compounds similar to 4-Penten-2-ol, chloroacetate.

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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