Chemical Properties of Beta-propyl-beta-propiolactone

InChI

InChI=1S/C6H10O2/c1-2-3-5-4-8-6(5)7/h5H,2-4H2,1H3

InChI Key

RDILZTZKTCONPZ-UHFFFAOYSA-N

Formula

C6H10O2

SMILES

CCCC1COC1=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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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	[130.55; 314.94]	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			-2.22780e+01
Coefficient B			6.79520e-01
Coefficient C			-4.74600e-04
Coefficient D			1.32300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	130.55	J/mol×K	273.00	Calculated Property
Cp,gas	164.58	J/mol×K	353.78	Calculated Property
Cp,gas	194.25	J/mol×K	434.56	Calculated Property
Cp,gas	219.97	J/mol×K	515.33	Calculated Property
Cp,gas	242.17	J/mol×K	596.11	Calculated Property
Cp,gas	261.26	J/mol×K	676.89	Calculated Property
Cp,gas	277.67	J/mol×K	757.67	Calculated Property
Cp,gas	291.80	J/mol×K	838.44	Calculated Property
Cp,gas	304.09	J/mol×K	919.22	Calculated Property
Cp,gas	314.94	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012665; 0.0004215]	Pa×s	[221.17; 405.10]	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			-9.09454e+00
Coefficient B			5.35910e+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.			221.17
Temperature range, max.			405.10
η	0.0012665	Pa×s	221.17	Calculated Property
η	0.0010318	Pa×s	241.61	Calculated Property
η	0.0008679	Pa×s	262.04	Calculated Property
η	0.0007485	Pa×s	282.48	Calculated Property
η	0.0006586	Pa×s	302.92	Calculated Property
η	0.0005889	Pa×s	323.35	Calculated Property
η	0.0005337	Pa×s	343.79	Calculated Property
η	0.0004890	Pa×s	364.23	Calculated Property
η	0.0004522	Pa×s	384.66	Calculated Property
η	0.0004215	Pa×s	405.10	Calculated Property

Similar Compounds

Find more compounds similar to Beta-propyl-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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