Chemical Properties of 3-Methylenecyclobutylacetate (CAS 18218-27-4)

InChI

InChI=1S/C7H10O2/c1-5-3-7(4-5)9-6(2)8/h7H,1,3-4H2,2H3

InChI Key

GECKEGSNKRNFFT-UHFFFAOYSA-N

Formula

C7H10O2

SMILES

C=C1CC(OC(C)=O)C1

Molecular Weight¹

126.15

CAS

18218-27-4

• 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_fH°_liquid : Liquid phase 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).
• 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, 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	[138.49; 338.18]	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			-1.11400e+01
Coefficient B			6.37820e-01
Coefficient C			-3.43800e-04
Coefficient D			5.53000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	138.49	J/mol×K	273.00	Calculated Property
Cp,gas	173.93	J/mol×K	353.78	Calculated Property
Cp,gas	205.64	J/mol×K	434.56	Calculated Property
Cp,gas	233.82	J/mol×K	515.33	Calculated Property
Cp,gas	258.62	J/mol×K	596.11	Calculated Property
Cp,gas	280.22	J/mol×K	676.89	Calculated Property
Cp,gas	298.81	J/mol×K	757.67	Calculated Property
Cp,gas	314.54	J/mol×K	838.44	Calculated Property
Cp,gas	327.61	J/mol×K	919.22	Calculated Property
Cp,gas	338.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019524; 0.0003515]	Pa×s	[239.08; 437.27]	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			-1.00215e+01
Coefficient B			9.04390e+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.			239.08
Temperature range, max.			437.27
η	0.0019524	Pa×s	239.08	Calculated Property
η	0.0014191	Pa×s	261.10	Calculated Property
η	0.0010839	Pa×s	283.12	Calculated Property
η	0.0008608	Pa×s	305.14	Calculated Property
η	0.0007051	Pa×s	327.16	Calculated Property
η	0.0005923	Pa×s	349.19	Calculated Property
η	0.0005079	Pa×s	371.21	Calculated Property
η	0.0004432	Pa×s	393.23	Calculated Property
η	0.0003923	Pa×s	415.25	Calculated Property
η	0.0003515	Pa×s	437.27	Calculated Property

Similar Compounds

Find more compounds similar to 3-Methylenecyclobutylacetate.

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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