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

InChI

InChI=1S/C7H11ClO2/c1-2-3-4-5-10-7(9)6-8/h2H,1,3-6H2

InChI Key

INNSMZAEAQGXQF-UHFFFAOYSA-N

Formula

C7H11ClO2

SMILES

C=CCCCOC(=O)CCl

Molecular Weight¹

162.62

• 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_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, 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	[173.91; 368.33]	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			3.18340e+01
Coefficient B			6.00800e-01
Coefficient C			-3.05700e-04
Coefficient D			4.14000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	173.91	J/mol×K	273.00	Calculated Property
Cp,gas	207.96	J/mol×K	353.78	Calculated Property
Cp,gas	238.58	J/mol×K	434.56	Calculated Property
Cp,gas	265.93	J/mol×K	515.33	Calculated Property
Cp,gas	290.12	J/mol×K	596.11	Calculated Property
Cp,gas	311.28	J/mol×K	676.89	Calculated Property
Cp,gas	329.56	J/mol×K	757.67	Calculated Property
Cp,gas	345.07	J/mol×K	838.44	Calculated Property
Cp,gas	357.95	J/mol×K	919.22	Calculated Property
Cp,gas	368.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0047976; 0.0002826]	Pa×s	[239.14; 444.62]	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			-1.14676e+01
Coefficient B			1.46544e+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.			239.14
Temperature range, max.			444.62
η	0.0047976	Pa×s	239.14	Calculated Property
η	0.0028124	Pa×s	261.97	Calculated Property
η	0.0017961	Pa×s	284.80	Calculated Property
η	0.0012260	Pa×s	307.63	Calculated Property
η	0.0008822	Pa×s	330.46	Calculated Property
η	0.0006624	Pa×s	353.29	Calculated Property
η	0.0005149	Pa×s	376.12	Calculated Property
η	0.0004120	Pa×s	398.96	Calculated Property
η	0.0003377	Pa×s	421.79	Calculated Property
η	0.0002826	Pa×s	444.62	Calculated Property

Similar Compounds

Find more compounds similar to 4-Penten-1-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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