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

InChI

InChI=1S/C6H9ClO2/c1-2-3-4-9-6(8)5-7/h2H,1,3-5H2

InChI Key

IYUCKRIJZHJOAQ-UHFFFAOYSA-N

Formula

C6H9ClO2

SMILES

C=CCCOC(=O)CCl

Molecular Weight¹

148.59

• 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	[152.70; 316.74]	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			3.27430e+01
Coefficient B			5.05800e-01
Coefficient C			-2.51300e-04
Coefficient D			2.95000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	152.70	J/mol×K	273.00	Calculated Property
Cp,gas	181.54	J/mol×K	353.78	Calculated Property
Cp,gas	207.51	J/mol×K	434.56	Calculated Property
Cp,gas	230.70	J/mol×K	515.33	Calculated Property
Cp,gas	251.21	J/mol×K	596.11	Calculated Property
Cp,gas	269.12	J/mol×K	676.89	Calculated Property
Cp,gas	284.54	J/mol×K	757.67	Calculated Property
Cp,gas	297.55	J/mol×K	838.44	Calculated Property
Cp,gas	308.26	J/mol×K	919.22	Calculated Property
Cp,gas	316.74	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0047911; 0.0002837]	Pa×s	[227.87; 429.73]	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			-1.13588e+01
Coefficient B			1.37128e+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.			227.87
Temperature range, max.			429.73
η	0.0047911	Pa×s	227.87	Calculated Property
η	0.0027941	Pa×s	250.30	Calculated Property
η	0.0017806	Pa×s	272.73	Calculated Property
η	0.0012152	Pa×s	295.16	Calculated Property
η	0.0008753	Pa×s	317.58	Calculated Property
η	0.0006583	Pa×s	340.01	Calculated Property
η	0.0005129	Pa×s	362.44	Calculated Property
η	0.0004114	Pa×s	384.87	Calculated Property
η	0.0003381	Pa×s	407.30	Calculated Property
η	0.0002837	Pa×s	429.73	Calculated Property

Similar Compounds

Find more compounds similar to 3-Buten-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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