Chemical Properties of Beta-isopropyl-beta-propiolactone

InChI

InChI=1S/C6H10O2/c1-4(2)5-3-8-6(5)7/h4-5H,3H2,1-2H3

InChI Key

JFLMBMOAMWVCRC-UHFFFAOYSA-N

Formula

C6H10O2

SMILES

CC(C)C1COC1=O

Molecular Weight¹

114.14

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[130.24; 315.48]	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			-2.39600e+01
Coefficient B			6.85440e-01
Coefficient C			-4.77800e-04
Coefficient D			1.31800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	130.24	J/mol×K	273.00	Calculated Property
Cp,gas	164.57	J/mol×K	353.78	Calculated Property
Cp,gas	194.49	J/mol×K	434.56	Calculated Property
Cp,gas	220.42	J/mol×K	515.33	Calculated Property
Cp,gas	242.77	J/mol×K	596.11	Calculated Property
Cp,gas	261.96	J/mol×K	676.89	Calculated Property
Cp,gas	278.42	J/mol×K	757.67	Calculated Property
Cp,gas	292.54	J/mol×K	838.44	Calculated Property
Cp,gas	304.76	J/mol×K	919.22	Calculated Property
Cp,gas	315.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015873; 0.0004010]	Pa×s	[206.17; 407.80]	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			-9.22854e+00
Coefficient B			5.73730e+02
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.			206.17
Temperature range, max.			407.80
η	0.0015873	Pa×s	206.17	Calculated Property
η	0.0012084	Pa×s	228.57	Calculated Property
η	0.0009658	Pa×s	250.98	Calculated Property
η	0.0008008	Pa×s	273.38	Calculated Property
η	0.0006831	Pa×s	295.79	Calculated Property
η	0.0005959	Pa×s	318.19	Calculated Property
η	0.0005293	Pa×s	340.59	Calculated Property
η	0.0004770	Pa×s	363.00	Calculated Property
η	0.0004351	Pa×s	385.40	Calculated Property
η	0.0004010	Pa×s	407.80	Calculated Property

Similar Compounds

Find more compounds similar to Beta-isopropyl-beta-propiolactone.

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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