Chemical Properties of 4,4-ETHYLENEDIOXY-PENTANENITRILE

InChI

InChI=1S/C7H11NO2/c1-7(3-2-4-8)9-5-6-10-7/h2-3,5-6H2,1H3

InChI Key

WAKYIWZYFCUCSG-UHFFFAOYSA-N

Formula

C7H11NO2

SMILES

CC1(CCC#N)OCCO1

Molecular Weight¹

141.17

Other Names

• 1,3-dioxolane-2-propanenitrile, 2-methyl-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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	[152.92; 386.61]	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			-6.23080e+01
Coefficient B			1.02122e+00
Coefficient C			-9.58200e-04
Coefficient D			3.85900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	152.92	J/mol×K	273.00	Calculated Property
Cp,gas	196.14	J/mol×K	353.78	Calculated Property
Cp,gas	232.19	J/mol×K	434.56	Calculated Property
Cp,gas	262.31	J/mol×K	515.33	Calculated Property
Cp,gas	287.70	J/mol×K	596.11	Calculated Property
Cp,gas	309.60	J/mol×K	676.89	Calculated Property
Cp,gas	329.22	J/mol×K	757.67	Calculated Property
Cp,gas	347.78	J/mol×K	838.44	Calculated Property
Cp,gas	366.50	J/mol×K	919.22	Calculated Property
Cp,gas	386.61	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 4,4-ETHYLENEDIOXY-PENTANENITRILE.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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