Chemical Properties of Oxirane,trans-2,3-diethynyl-

InChI

InChI=1S/C5H3NO/c1-2-4-5(3-6)7-4/h1,4-5H/t4-,5-/m1/s1

InChI Key

TTYKBHXCNCFTQB-WHFBIAKZSA-N

Formula

C5H3NO

SMILES

C#C[C@H]1O[C@@H]1C#N

Molecular Weight¹

93.08

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[135.25; 169.70]	J/mol×K	[435.02; 657.56]
Cp,gas	135.25	J/mol×K	435.02	Joback Calculated Property
Cp,gas	142.17	J/mol×K	472.11	Joback Calculated Property
Cp,gas	148.57	J/mol×K	509.20	Joback Calculated Property
Cp,gas	154.49	J/mol×K	546.29	Joback Calculated Property
Cp,gas	159.96	J/mol×K	583.38	Joback Calculated Property
Cp,gas	165.01	J/mol×K	620.47	Joback Calculated Property
Cp,gas	169.70	J/mol×K	657.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to Oxirane,trans-2,3-diethynyl-.

Sources

• 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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